EcoDrugPlus


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

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form


InChI Key	SRGYBLJHKNFHPU-MAZCIEHSSA-N
Smiles	CCCCC/C=CC/C=CCCCCCCCC(=O)NCCNC(=O)CCCCCCC/C=CC/C=CCCCCC
InChI	InChI=1S/C38H68N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-36H2,1-2H3,(H,39,41)(H,40,42)/b13-11-,14-12-,19-17-,20-18-

InChI Key

SRGYBLJHKNFHPU-MAZCIEHSSA-N

Smiles

CCCCC/C=CC/C=CCCCCCCCC(=O)NCCNC(=O)CCCCCCC/C=CC/C=CCCCCC

InChI

InChI=1S/C38H68N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-36H2,1-2H3,(H,39,41)(H,40,42)/b13-11-,14-12-,19-17-,20-18-

Property Name	Value
Molecular Formula	C38H68N2O2
Molecular Weight	584.53
AlogP	12.53
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	31.0
Polar Surface Area	65.18
Heavy Atoms	42.0

Property Name

Value

Molecular Formula

C38H68N2O2

Molecular Weight

584.53

AlogP

12.53

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

31.0

Polar Surface Area

65.18

Heavy Atoms

42.0

Resources	Reference
CAS NUMBER	14614-46-1
NORMAN SUSDAT
PubChem	72941506

Resources

Reference

CAS NUMBER

14614-46-1

NORMAN SUSDAT

PubChem

72941506

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...

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Last update: Monday, 3 November 2025

N,N'-DILINOLEOYLETHYLENEDIAMINE

Structure

Physicochemical Descriptors

Cross References