EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	R9L7E6L97D
EPA CompTox	DTXSID30157056

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

R9L7E6L97D

EPA CompTox

DTXSID30157056


InChI Key	CDMRYARHYKNFLS-UHFFFAOYSA-N
Smiles	CCCC(C)(C)C(=O)N
InChI	InChI=1S/C7H15NO/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H2,8,9)

InChI Key

CDMRYARHYKNFLS-UHFFFAOYSA-N

Smiles

CCCC(C)(C)C(=O)N

InChI

InChI=1S/C7H15NO/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H2,8,9)

Property Name	Value
Molecular Formula	C7H15N1O1
Molecular Weight	129.12
AlogP	2.35
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	44.08
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H15N1O1

Molecular Weight

129.12

AlogP

2.35

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

44.08

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	13146-36-6
NORMAN SUSDAT
FDA SRS	R9L7E6L97D
PubChem	83180
ChemSpider	75047.0

Resources

Reference

CAS NUMBER

13146-36-6

NORMAN SUSDAT

FDA SRS

R9L7E6L97D

PubChem

83180

ChemSpider

75047.0

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

VALERAMIDE, 2,2-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References