N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide

C19H17NO3 — CID 139794915

IUPACN-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)oc3ccccc3c2=O)c1C
InChIInChI=1S/C19H17NO3/c1-11-7-6-9-15(12(11)2)20-19(22)17-13(3)23-16-10-5-4-8-14(16)18(17)21/h4-10H,1-3H3,(H,20,22)
InChIKeyWTSBXJCAEQBWAC-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.97
Rot. Bonds2

About N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide

N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide (PubChem CID 139794915) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide
PubChem CID139794915
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC NameN-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)oc3ccccc3c2=O)c1C
InChIInChI=1S/C19H17NO3/c1-11-7-6-9-15(12(11)2)20-19(22)17-13(3)23-16-10-5-4-8-14(16)18(17)21/h4-10H,1-3H3,(H,20,22)
InChIKeyWTSBXJCAEQBWAC-UHFFFAOYSA-N
XLogP3.97
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 155549718
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590864
N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide
CID 14128614
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
N-(2,3-dimethylphenyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 17444199
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 18112860
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
N-(2,4-dimethoxyphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703181
N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151872
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide (CID 139794915) is N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide is Cc1cccc(NC(=O)c2c(C)oc3ccccc3c2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide?
The InChIKey is WTSBXJCAEQBWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-11-7-6-9-15(12(11)2)20-19(22)17-13(3)23-16-10-5-4-8-14(16)18(17)21/h4-10H,1-3H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide?
N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide is sourced from PubChem (CID 139794915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).