2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide

C18H15NO5 — CID 6459417

IUPAC2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c(OC)c1
InChIInChI=1S/C18H15NO5/c1-22-13-5-6-14(16(10-13)23-2)18(21)19-12-4-7-15-11(9-12)3-8-17(20)24-15/h3-10H,1-2H3,(H,19,21)
InChIKeyIRQUYDFQOCAUPE-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.06
Rot. Bonds4

About 2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide

2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide (PubChem CID 6459417) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
PubChem CID6459417
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c(OC)c1
InChIInChI=1S/C18H15NO5/c1-22-13-5-6-14(16(10-13)23-2)18(21)19-12-4-7-15-11(9-12)3-8-17(20)24-15/h3-10H,1-2H3,(H,19,21)
InChIKeyIRQUYDFQOCAUPE-UHFFFAOYSA-N
XLogP3.06
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
CID 3157286
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978421
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
2-chloro-N-(2-oxochromen-6-yl)benzamide
CID 965741
5-bromo-2-methoxy-N-[(2-oxochromen-6-yl)carbamothioyl]benzamide
CID 3974750
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
(2-oxochromen-6-yl)carbamic acid
CID 18427920
2-chloro-5-[(2,4-dimethoxybenzoyl)amino]benzamide
CID 46570655
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
2-iodo-3-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978567
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459
2-(2-methoxyethoxy)-N-(2-oxochromen-6-yl)acetamide
CID 60580990

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide (CID 6459417) is 2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide is COc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide?
The InChIKey is IRQUYDFQOCAUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-13-5-6-14(16(10-13)23-2)18(21)19-12-4-7-15-11(9-12)3-8-17(20)24-15/h3-10H,1-2H3,(H,19,21).
What are the key properties of 2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide?
2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide has a molecular weight of 325.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide is sourced from PubChem (CID 6459417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).