EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4N3QA02VE5
EPA CompTox	DTXSID40862184

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4N3QA02VE5

EPA CompTox

DTXSID40862184


InChI Key	GFFFJSWQOUVZCY-UHFFFAOYSA-N
Smiles	CCN(CC)CCN(CC)CCOC(=O)c1ccc(N)cc1
InChI	InChI=1S/C17H29N3O2/c1-4-19(5-2)11-12-20(6-3)13-14-22-17(21)15-7-9-16(18)10-8-15/h7-10H,4-6,11-14,18H2,1-3H3

InChI Key

GFFFJSWQOUVZCY-UHFFFAOYSA-N

Smiles

CCN(CC)CCN(CC)CCOC(=O)c1ccc(N)cc1

InChI

InChI=1S/C17H29N3O2/c1-4-19(5-2)11-12-20(6-3)13-14-22-17(21)15-7-9-16(18)10-8-15/h7-10H,4-6,11-14,18H2,1-3H3

Property Name	Value
Molecular Formula	C17H29N3O2
Molecular Weight	307.23
AlogP	2.09
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	58.8
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C17H29N3O2

Molecular Weight

307.23

AlogP

2.09

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

10.0

Polar Surface Area

58.8

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	553-65-1
NORMAN SUSDAT
FDA SRS	4N3QA02VE5

Resources

Reference

CAS NUMBER

553-65-1

NORMAN SUSDAT

FDA SRS

4N3QA02VE5

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

AMOXECAINE

Structure

Physicochemical Descriptors

Cross References