EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	F4WMF8NX3B

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

F4WMF8NX3B


InChI Key	MRAMPOPITCOOIN-UHFFFAOYSA-N
Smiles	CCOCCCNC(=O)C(O)C(C)(C)CO
InChI	InChI=1S/C11H23NO4/c1-4-16-7-5-6-12-10(15)9(14)11(2,3)8-13/h9,13-14H,4-8H2,1-3H3,(H,12,15)

InChI Key

MRAMPOPITCOOIN-UHFFFAOYSA-N

Smiles

CCOCCCNC(=O)C(O)C(C)(C)CO

InChI

InChI=1S/C11H23NO4/c1-4-16-7-5-6-12-10(15)9(14)11(2,3)8-13/h9,13-14H,4-8H2,1-3H3,(H,12,15)

Property Name	Value
Molecular Formula	C11H23N1O4
Molecular Weight	233.16
AlogP	0.75
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	82.28
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C11H23N1O4

Molecular Weight

233.16

AlogP

0.75

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

8.0

Polar Surface Area

82.28

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	667-83-4
NORMAN SUSDAT
FDA SRS	F4WMF8NX3B
PubChem	3856251
ChemSpider	3081295.0

Resources

Reference

CAS NUMBER

667-83-4

NORMAN SUSDAT

FDA SRS

F4WMF8NX3B

PubChem

3856251

ChemSpider

3081295.0

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...

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Last update: Monday, 3 November 2025

PANTHENYL ETHYL ETHER

Structure

Physicochemical Descriptors

Cross References