EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	0600L2M6EZ
EPA CompTox	DTXSID10911012

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

0600L2M6EZ

EPA CompTox

DTXSID10911012


InChI Key	DHTRHEVNFFZCNU-OAHLLOKOSA-N
Smiles	O=C(N(C=1C=CC=CC1)C(C)CN2CCCCC2)CC
InChI	InChI=1/C17H26N2O/c1-3-17(20)19(16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3

InChI Key

DHTRHEVNFFZCNU-OAHLLOKOSA-N

Smiles

O=C(N(C=1C=CC=CC1)C(C)CN2CCCCC2)CC

InChI

InChI=1/C17H26N2O/c1-3-17(20)19(16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3

Property Name	Value
Molecular Formula	C17H26N2O
Molecular Weight	274.2
AlogP	3.3
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	23.55
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C17H26N2O

Molecular Weight

274.2

AlogP

3.3

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

23.55

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	129-83-9
NORMAN SUSDAT
FDA SRS	0600L2M6EZ
PubChem	20054994

Resources

Reference

CAS NUMBER

129-83-9

NORMAN SUSDAT

FDA SRS

0600L2M6EZ

PubChem

20054994

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...

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

Last update: Monday, 3 November 2025

PHENAMPROMIDE

Structure

Physicochemical Descriptors

Cross References