EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DQH34YP63N
EPA CompTox	DTXSID40172715

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DQH34YP63N

EPA CompTox

DTXSID40172715


InChI Key	SCZZLKXIDKQDDI-UHFFFAOYSA-N
Smiles	CCCCCCCCc1ccc(cc1)N(CC)c1ccc(CCCCCCCC)cc1
InChI	InChI=1S/C30H47N/c1-4-7-9-11-13-15-17-27-19-23-29(24-20-27)31(6-3)30-25-21-28(22-26-30)18-16-14-12-10-8-5-2/h19-26H,4-18H2,1-3H3

InChI Key

SCZZLKXIDKQDDI-UHFFFAOYSA-N

Smiles

CCCCCCCCc1ccc(cc1)N(CC)c1ccc(CCCCCCCC)cc1

InChI

InChI=1S/C30H47N/c1-4-7-9-11-13-15-17-27-19-23-29(24-20-27)31(6-3)30-25-21-28(22-26-30)18-16-14-12-10-8-5-2/h19-26H,4-18H2,1-3H3

Property Name	Value
Molecular Formula	C30H47N1
Molecular Weight	421.37
AlogP	9.65
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	17.0
Polar Surface Area	3.24
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C30H47N1

Molecular Weight

421.37

AlogP

9.65

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

17.0

Polar Surface Area

3.24

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	19182-05-9
NORMAN SUSDAT
FDA SRS	DQH34YP63N
PubChem	87953
ChemSpider	79350.0

Resources

Reference

CAS NUMBER

19182-05-9

NORMAN SUSDAT

FDA SRS

DQH34YP63N

PubChem

87953

ChemSpider

79350.0

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-ETHYL-4-OCTYL-N-(4-OCTYLPHENYL)ANILINE

Structure

Physicochemical Descriptors

Cross References