EcoDrugPlus


Keyword(s):	Surfactants ; Drinking Water Chemicals ; Plastic additives ; Indoor Environment Substances ; Food Contact Chemicals
Molecule Category	Free-form
UNII	LIJ19P3L6F
EPA CompTox	DTXSID7042011

Keyword(s):

Surfactants ; Drinking Water Chemicals ; Plastic additives ; Indoor Environment Substances ; Food Contact Chemicals

Molecule Category

Free-form

UNII

LIJ19P3L6F

EPA CompTox

DTXSID7042011


InChI Key	BACYUWVYYTXETD-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCC(=O)N(C)CC(O)=O
InChI	InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19)

InChI Key

BACYUWVYYTXETD-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(=O)N(C)CC(O)=O

InChI

InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19)

Property Name	Value
Molecular Formula	C15H29N1O3
Molecular Weight	271.21
AlogP	3.45
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	12.0
Polar Surface Area	57.61
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H29N1O3

Molecular Weight

271.21

AlogP

3.45

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

12.0

Polar Surface Area

57.61

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	97-78-9
NORMAN SUSDAT
FDA SRS	LIJ19P3L6F
PubChem	7348
ChemSpider	7071.0

Resources

Reference

CAS NUMBER

97-78-9

NORMAN SUSDAT

FDA SRS

LIJ19P3L6F

PubChem

7348

ChemSpider

7071.0

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

N-DODECANOYL-N-METHYLGLYCINE

Structure

Physicochemical Descriptors

Cross References