EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	910Q707V6F
EPA CompTox	DTXSID6048414

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

910Q707V6F

EPA CompTox

DTXSID6048414


InChI Key	KEECCEWTUVWFCV-UHFFFAOYSA-N
Smiles	CCN(CC)CCNC(=O)c1ccc(cc1)N=C(C)O
InChI	InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)

InChI Key

KEECCEWTUVWFCV-UHFFFAOYSA-N

Smiles

CCN(CC)CCNC(=O)c1ccc(cc1)N=C(C)O

InChI

InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)

Property Name	Value
Molecular Formula	C15H23N3O2
Molecular Weight	277.18
AlogP	2.37
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	64.93
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H23N3O2

Molecular Weight

277.18

AlogP

2.37

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

7.0

Polar Surface Area

64.93

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	32795-44-1
NORMAN SUSDAT
FDA SRS	910Q707V6F
PubChem	4342
ChemSpider	4189.0

Resources

Reference

CAS NUMBER

32795-44-1

NORMAN SUSDAT

FDA SRS

910Q707V6F

PubChem

4342

ChemSpider

4189.0

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

ACECAINIDE

Structure

Physicochemical Descriptors

Cross References