EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70961639

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70961639


InChI Key	IEBDTIUHMNLDTC-UHFFFAOYSA-N
Smiles	O=C(OCCN(CC)CC)C(CC=1C=CC=2C=CC=CC2C1)CC3OCCC3
InChI	InChI=1/C24H33NO3/c1-3-25(4-2)13-15-28-24(26)22(18-23-10-7-14-27-23)17-19-11-12-20-8-5-6-9-21(20)16-19/h5-6,8-9,11-12,16,22-23H,3-4,7,10,13-15,17-18H2,1-2H3

InChI Key

IEBDTIUHMNLDTC-UHFFFAOYSA-N

Smiles

O=C(OCCN(CC)CC)C(CC=1C=CC=2C=CC=CC2C1)CC3OCCC3

InChI

InChI=1/C24H33NO3/c1-3-25(4-2)13-15-28-24(26)22(18-23-10-7-14-27-23)17-19-11-12-20-8-5-6-9-21(20)16-19/h5-6,8-9,11-12,16,22-23H,3-4,7,10,13-15,17-18H2,1-2H3

Property Name	Value
Molecular Formula	C24H33NO3
Molecular Weight	383.25
AlogP	4.45
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	10.0
Polar Surface Area	38.77
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C24H33NO3

Molecular Weight

383.25

AlogP

4.45

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

10.0

Polar Surface Area

38.77

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	41359-72-2
NORMAN SUSDAT
PubChem	6451714

Resources

Reference

CAS NUMBER

41359-72-2

NORMAN SUSDAT

PubChem

6451714

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

2-(DIETHYLAMINO)ETHYL TETRAHYDRO-A-(2-NAPHTHYLMETHYL)FURAN-2-PROPIONATE

Structure

Physicochemical Descriptors

Cross References