EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	BA484813BO
EPA CompTox	DTXSID60213199

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

BA484813BO

EPA CompTox

DTXSID60213199


InChI Key	BOFYHBVFGWJLIZ-UHFFFAOYSA-N
Smiles	CCN(CC)CCOc1ccccc1C(=O)Nc1ccccc1
InChI	InChI=1S/C19H24N2O2/c1-3-21(4-2)14-15-23-18-13-9-8-12-17(18)19(22)20-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,20,22)

InChI Key

BOFYHBVFGWJLIZ-UHFFFAOYSA-N

Smiles

CCN(CC)CCOc1ccccc1C(=O)Nc1ccccc1

InChI

InChI=1S/C19H24N2O2/c1-3-21(4-2)14-15-23-18-13-9-8-12-17(18)19(22)20-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,20,22)

Property Name	Value
Molecular Formula	C19H24N2O2
Molecular Weight	312.18
AlogP	4.04
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	45.06
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H24N2O2

Molecular Weight

312.18

AlogP

4.04

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

45.06

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	6376-26-7
NORMAN SUSDAT
FDA SRS	BA484813BO
PubChem	65585
ChemSpider	59027.0

Resources

Reference

CAS NUMBER

6376-26-7

NORMAN SUSDAT

FDA SRS

BA484813BO

PubChem

65585

ChemSpider

59027.0

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

SALVERINE

Structure

Physicochemical Descriptors

Cross References