EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5BZF8S8IL5

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5BZF8S8IL5


InChI Key	HKOURKRGAFKVFP-UHFFFAOYSA-N
Smiles	CCN(CC)C(C)CC(=O)Nc1ccccc1
InChI	InChI=1S/C14H22N2O/c1-4-16(5-2)12(3)11-14(17)15-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,17)

InChI Key

HKOURKRGAFKVFP-UHFFFAOYSA-N

Smiles

CCN(CC)C(C)CC(=O)Nc1ccccc1

InChI

InChI=1S/C14H22N2O/c1-4-16(5-2)12(3)11-14(17)15-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,17)

Property Name	Value
Molecular Formula	C14H22N2O1
Molecular Weight	234.17
AlogP	3.4
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	35.83
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H22N2O1

Molecular Weight

234.17

AlogP

3.4

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

35.83

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	13912-77-1
NORMAN SUSDAT
FDA SRS	5BZF8S8IL5
PubChem	26329
ChemSpider	24531.0

Resources

Reference

CAS NUMBER

13912-77-1

NORMAN SUSDAT

FDA SRS

5BZF8S8IL5

PubChem

26329

ChemSpider

24531.0

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

OCTACAINE

Structure

Physicochemical Descriptors

Cross References