EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C2C3U7Q3RE
EPA CompTox	DTXSID1059286

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C2C3U7Q3RE

EPA CompTox

DTXSID1059286


InChI Key	JVKWTDRHWOSRFT-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCC(=O)Nc1ccc(O)cc1
InChI	InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-18(21)19-16-12-14-17(20)15-13-16/h12-15,20H,2-11H2,1H3,(H,19,21)

InChI Key

JVKWTDRHWOSRFT-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(=O)Nc1ccc(O)cc1

InChI

InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-18(21)19-16-12-14-17(20)15-13-16/h12-15,20H,2-11H2,1H3,(H,19,21)

Property Name	Value
Molecular Formula	C18H29N1O2
Molecular Weight	291.22
AlogP	5.25
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	11.0
Polar Surface Area	49.33
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C18H29N1O2

Molecular Weight

291.22

AlogP

5.25

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

11.0

Polar Surface Area

49.33

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	103-98-0
NORMAN SUSDAT
FDA SRS	C2C3U7Q3RE
PubChem	66902
ChemSpider	60264.0

Resources

Reference

CAS NUMBER

103-98-0

NORMAN SUSDAT

FDA SRS

C2C3U7Q3RE

PubChem

66902

ChemSpider

60264.0

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, 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

DODECANAMIDE, N-(4-HYDROXYPHENYL)-

Structure

Physicochemical Descriptors

Cross References