EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID10179993

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID10179993


InChI Key	MFBKELHPKHLNTH-UHFFFAOYSA-N
Smiles	O=C(CCCCC(=O)NCC1=CC=CC=C1)NCC1=CC=CC=C1
InChI	InChI=1S/C20H24N2O2/c23-19(21-15-17-9-3-1-4-10-17)13-7-8-14-20(24)22-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,21,23)(H,22,24)

InChI Key

MFBKELHPKHLNTH-UHFFFAOYSA-N

Smiles

O=C(CCCCC(=O)NCC1=CC=CC=C1)NCC1=CC=CC=C1

InChI

InChI=1S/C20H24N2O2/c23-19(21-15-17-9-3-1-4-10-17)13-7-8-14-20(24)22-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,21,23)(H,22,24)

Property Name	Value
Molecular Formula	C20H24N2O2
Molecular Weight	324.18
AlogP	4.86
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	65.18
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C20H24N2O2

Molecular Weight

324.18

AlogP

4.86

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

65.18

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	25344-24-5
NORMAN SUSDAT
PubChem	4079537

Resources

Reference

CAS NUMBER

25344-24-5

NORMAN SUSDAT

PubChem

4079537

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

N,N′-BIS(PHENYLMETHYL)HEXANEDIAMIDE

Structure

Physicochemical Descriptors

Cross References