N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide

C19H17NO5 — CID 110792977

IUPACN-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(OC)c1C
InChIInChI=1S/C19H17NO5/c1-11-15(23-2)9-8-14(17(11)24-3)20-18(21)13-10-12-6-4-5-7-16(12)25-19(13)22/h4-10H,1-3H3,(H,20,21)
InChIKeySODOBXRIZQIFFQ-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.37
Rot. Bonds4

About N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide

N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 110792977) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
PubChem CID110792977
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC NameN-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(OC)c1C
InChIInChI=1S/C19H17NO5/c1-11-15(23-2)9-8-14(17(11)24-3)20-18(21)13-10-12-6-4-5-7-16(12)25-19(13)22/h4-10H,1-3H3,(H,20,21)
InChIKeySODOBXRIZQIFFQ-UHFFFAOYSA-N
XLogP3.37
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980
N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 24571213
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-oxochromene-3-carboxamide
CID 4874951
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
dimethyl 2-[(2-oxochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate
CID 1033949
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
CID 9268804
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide
CID 3290288
N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794447
2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 5126605
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7590071
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide (CID 110792977) is N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(OC)c1C.
What is the InChIKey of N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is SODOBXRIZQIFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11-15(23-2)9-8-14(17(11)24-3)20-18(21)13-10-12-6-4-5-7-16(12)25-19(13)22/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide?
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110792977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).