EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	0078AU906Y

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

0078AU906Y


InChI Key	ATOADJARINWOSC-LTEAFHAISA-N
Smiles	CCCCCCCC/C=CCCCCCCCC(=O)NCCNC(=O)CCCCCCC/C=CC/C=CCCCCC
InChI	InChI=1S/C38H70N2O2/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/h11,13,17-20H,3-10,12,14-16,21-36H2,1-2H3,(H,39,41)(H,40,42)/b13-11-,19-17-,20-18-

InChI Key

ATOADJARINWOSC-LTEAFHAISA-N

Smiles

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

InChI

InChI=1S/C38H70N2O2/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/h11,13,17-20H,3-10,12,14-16,21-36H2,1-2H3,(H,39,41)(H,40,42)/b13-11-,19-17-,20-18-

Property Name	Value
Molecular Formula	C38H70N2O2
Molecular Weight	586.54
AlogP	12.75
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	32.0
Polar Surface Area	65.18
Heavy Atoms	42.0

Property Name

Value

Molecular Formula

C38H70N2O2

Molecular Weight

586.54

AlogP

12.75

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

32.0

Polar Surface Area

65.18

Heavy Atoms

42.0

Resources	Reference
CAS NUMBER	14990-62-6
NORMAN SUSDAT
FDA SRS	0078AU906Y
PubChem	72941508

Resources

Reference

CAS NUMBER

14990-62-6

NORMAN SUSDAT

FDA SRS

0078AU906Y

PubChem

72941508

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-OLEOYL-N'-LINOLEOYLETHYLENEDIAMINE

Structure

Physicochemical Descriptors

Cross References