EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	1KM10YZP4Y
EPA CompTox	DTXSID9051292

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

1KM10YZP4Y

EPA CompTox

DTXSID9051292


InChI Key	KBJXJWRZGPVXFX-KHPPLWFESA-N
Smiles	CCCCCCCCC=C/CCCCCCCC(=O)NCCN(CCO)C(C)=O
InChI	InChI=1S/C24H46N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(29)25-19-20-26(21-22-27)23(2)28/h10-11,27H,3-9,12-22H2,1-2H3,(H,25,29)/b11-10-

InChI Key

KBJXJWRZGPVXFX-KHPPLWFESA-N

Smiles

CCCCCCCCC=C/CCCCCCCC(=O)NCCN(CCO)C(C)=O

InChI

InChI=1S/C24H46N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(29)25-19-20-26(21-22-27)23(2)28/h10-11,27H,3-9,12-22H2,1-2H3,(H,25,29)/b11-10-

Property Name	Value
Molecular Formula	C24H46N2O3
Molecular Weight	410.35
AlogP	5.82
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	20.0
Polar Surface Area	73.13
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C24H46N2O3

Molecular Weight

410.35

AlogP

5.82

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

20.0

Polar Surface Area

73.13

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	101229-03-2
NORMAN SUSDAT
FDA SRS	1KM10YZP4Y
PubChem	71587381

Resources

Reference

CAS NUMBER

101229-03-2

NORMAN SUSDAT

FDA SRS

1KM10YZP4Y

PubChem

71587381

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-ACETYL-N-(2-HYDROXYETHYL)-N'-OLEOYLETHYLENEDIAMINE

Structure

Physicochemical Descriptors

Cross References