EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	84QKH33FQE
EPA CompTox	DTXSID40239635

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

84QKH33FQE

EPA CompTox

DTXSID40239635


InChI Key	RGTILWBSOZQZFU-UHFFFAOYSA-N
Smiles	CC(=O)Nc1cc(ccc1)N(CCCc1ccccc1)CCCc1ccccc1
InChI	InChI=1S/C26H30N2O/c1-22(29)27-25-17-8-18-26(21-25)28(19-9-15-23-11-4-2-5-12-23)20-10-16-24-13-6-3-7-14-24/h2-8,11-14,17-18,21H,9-10,15-16,19-20H2,1H3,(H,27,29)

InChI Key

RGTILWBSOZQZFU-UHFFFAOYSA-N

Smiles

CC(=O)Nc1cc(ccc1)N(CCCc1ccccc1)CCCc1ccccc1

InChI

InChI=1S/C26H30N2O/c1-22(29)27-25-17-8-18-26(21-25)28(19-9-15-23-11-4-2-5-12-23)20-10-16-24-13-6-3-7-14-24/h2-8,11-14,17-18,21H,9-10,15-16,19-20H2,1H3,(H,27,29)

Property Name	Value
Molecular Formula	C26H30N2O1
Molecular Weight	386.24
AlogP	6.37
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	35.83
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C26H30N2O1

Molecular Weight

386.24

AlogP

6.37

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

10.0

Polar Surface Area

35.83

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	93778-46-2
NORMAN SUSDAT
FDA SRS	84QKH33FQE
PubChem	3022336
ChemSpider	2288878.0

Resources

Reference

CAS NUMBER

93778-46-2

NORMAN SUSDAT

FDA SRS

84QKH33FQE

PubChem

3022336

ChemSpider

2288878.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

N-(3-(BIS(3-PHENYLPROPYL)AMINO)PHENYL)ACETAMIDE

Structure

Physicochemical Descriptors

Cross References