EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	17B625R8YT
EPA CompTox	DTXSID1042441

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

17B625R8YT

EPA CompTox

DTXSID1042441


InChI Key	PNRAZZZISDRWMV-UHFFFAOYSA-N
Smiles	CNC(=O)Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C
InChI	InChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)

InChI Key

PNRAZZZISDRWMV-UHFFFAOYSA-N

Smiles

CNC(=O)Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)

Property Name	Value
Molecular Formula	C17H27N1O2
Molecular Weight	277.2
AlogP	4.51
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	41.82
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C17H27N1O2

Molecular Weight

277.2

AlogP

4.51

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

41.82

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	1918-11-2
NORMAN SUSDAT
FDA SRS	17B625R8YT
PubChem	15967
ChemSpider	15172.0

Resources

Reference

CAS NUMBER

1918-11-2

NORMAN SUSDAT

FDA SRS

17B625R8YT

PubChem

15967

ChemSpider

15172.0

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...

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

Last update: Monday, 3 November 2025

TERBUCARB

Structure

Physicochemical Descriptors

Cross References