EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	P0K588R4H6

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

P0K588R4H6


InChI Key	VSSAPBSVPUSKPK-UHFFFAOYSA-N
Smiles	CCN(CC)CCNC(=O)c1ccccc1O
InChI	InChI=1S/C13H20N2O2/c1-3-15(4-2)10-9-14-13(17)11-7-5-6-8-12(11)16/h5-8,16H,3-4,9-10H2,1-2H3,(H,14,17)

InChI Key

VSSAPBSVPUSKPK-UHFFFAOYSA-N

Smiles

CCN(CC)CCNC(=O)c1ccccc1O

InChI

InChI=1S/C13H20N2O2/c1-3-15(4-2)10-9-14-13(17)11-7-5-6-8-12(11)16/h5-8,16H,3-4,9-10H2,1-2H3,(H,14,17)

Property Name	Value
Molecular Formula	C13H20N2O2
Molecular Weight	236.15
AlogP	2.04
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	56.06
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C13H20N2O2

Molecular Weight

236.15

AlogP

2.04

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

56.06

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	46803-81-0
NORMAN SUSDAT
FDA SRS	P0K588R4H6

Resources

Reference

CAS NUMBER

46803-81-0

NORMAN SUSDAT

FDA SRS

P0K588R4H6

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

SALETAMIDE

Structure

Physicochemical Descriptors

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