EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SE3RVH7K36
EPA CompTox	DTXSID00191487

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SE3RVH7K36

EPA CompTox

DTXSID00191487


InChI Key	CYGAEZQNRUGNLL-SFHVURJKSA-N
Smiles	CCCCCCCCCCCC(=O)NCCCCC(N(C)C)C(=O)O
InChI	InChI=1S/C20H40N2O3/c1-4-5-6-7-8-9-10-11-12-16-19(23)21-17-14-13-15-18(20(24)25)22(2)3/h18H,4-17H2,1-3H3,(H,21,23)(H,24,25)/t18-/m1/s1

InChI Key

CYGAEZQNRUGNLL-SFHVURJKSA-N

Smiles

CCCCCCCCCCCC(=O)NCCCCC(N(C)C)C(=O)O

InChI

InChI=1S/C20H40N2O3/c1-4-5-6-7-8-9-10-11-12-16-19(23)21-17-14-13-15-18(20(24)25)22(2)3/h18H,4-17H2,1-3H3,(H,21,23)(H,24,25)/t18-/m1/s1

Property Name	Value
Molecular Formula	C20H40N2O3
Molecular Weight	356.3
AlogP	5.05
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	17.0
Polar Surface Area	73.13
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C20H40N2O3

Molecular Weight

356.3

AlogP

5.05

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

17.0

Polar Surface Area

73.13

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	38079-57-1
NORMAN SUSDAT
FDA SRS	SE3RVH7K36
PubChem	53746540
ChemSpider	21230112.0

Resources

Reference

CAS NUMBER

38079-57-1

NORMAN SUSDAT

FDA SRS

SE3RVH7K36

PubChem

53746540

ChemSpider

21230112.0

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

N2,N2-DIMETHYL-N6-(1-OXODODECYL)-L-LYSINE

Structure

Physicochemical Descriptors

Cross References