EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	3NV5QT373M
EPA CompTox	DTXSID7059062

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

3NV5QT373M

EPA CompTox

DTXSID7059062


InChI Key	LAKNSQZHAUYJJM-UHFFFAOYSA-N
Smiles	COc1ccc(OC)c(NC(=O)c2cc3ccccc3cc2O)c1
InChI	InChI=1S/C19H17NO4/c1-23-14-7-8-18(24-2)16(11-14)20-19(22)15-9-12-5-3-4-6-13(12)10-17(15)21/h3-11,21H,1-2H3,(H,20,22)

InChI Key

LAKNSQZHAUYJJM-UHFFFAOYSA-N

Smiles

COc1ccc(OC)c(NC(=O)c2cc3ccccc3cc2O)c1

InChI

InChI=1S/C19H17NO4/c1-23-14-7-8-18(24-2)16(11-14)20-19(22)15-9-12-5-3-4-6-13(12)10-17(15)21/h3-11,21H,1-2H3,(H,20,22)

Property Name	Value
Molecular Formula	C19H17N1O4
Molecular Weight	323.12
AlogP	4.2
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	71.28
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C19H17N1O4

Molecular Weight

323.12

AlogP

4.2

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

71.28

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	92-73-9
NORMAN SUSDAT
FDA SRS	3NV5QT373M
PubChem	66715
ChemSpider	60081.0

Resources

Reference

CAS NUMBER

92-73-9

NORMAN SUSDAT

FDA SRS

3NV5QT373M

PubChem

66715

ChemSpider

60081.0

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

2-NAPHTHALENECARBOXAMIDE, N-(2,5-DIMETHOXYPHENYL)-3-HYDROXY-

Structure

Physicochemical Descriptors

Cross References