EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	PA9VPB673J
EPA CompTox	DTXSID50154067

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

PA9VPB673J

EPA CompTox

DTXSID50154067


InChI Key	UKGXYSOSRSCGJB-UHFFFAOYSA-N
Smiles	CC(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
InChI	InChI=1S/C20H24N2O/c1-17(23)22(19-10-6-3-7-11-19)20-12-14-21(15-13-20)16-18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3

InChI Key

UKGXYSOSRSCGJB-UHFFFAOYSA-N

Smiles

CC(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1

InChI

InChI=1S/C20H24N2O/c1-17(23)22(19-10-6-3-7-11-19)20-12-14-21(15-13-20)16-18-8-4-2-5-9-18/h2-11,20H,12-16H2,1H3

Property Name	Value
Molecular Formula	C20H24N2O1
Molecular Weight	308.19
AlogP	3.7
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	23.55
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C20H24N2O1

Molecular Weight

308.19

AlogP

3.7

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

23.55

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	1237-52-1
NORMAN SUSDAT
FDA SRS	PA9VPB673J
PubChem	71058
ChemSpider	64214.0

Resources

Reference

CAS NUMBER

1237-52-1

NORMAN SUSDAT

FDA SRS

PA9VPB673J

PubChem

71058

ChemSpider

64214.0

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

N-PHENYL-N-(1-(PHENYLMETHYL)-4-PIPERIDINYL)ACETAMIDE

Structure

Physicochemical Descriptors

Cross References