N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide

C19H17NO3 — CID 23605544

IUPACN-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c1
InChIInChI=1S/C19H17NO3/c1-11-5-7-17-14(8-11)16(21)10-18(23-17)19(22)20-15-9-12(2)4-6-13(15)3/h4-10H,1-3H3,(H,20,22)
InChIKeyWBVDKARUHWKQQB-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.97
Rot. Bonds2

About N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide

N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 23605544) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
PubChem CID23605544
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC NameN-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c1
InChIInChI=1S/C19H17NO3/c1-11-5-7-17-14(8-11)16(21)10-18(23-17)19(22)20-15-9-12(2)4-6-13(15)3/h4-10H,1-3H3,(H,20,22)
InChIKeyWBVDKARUHWKQQB-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-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
CID 9097785
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
4-methyl-3-[(4-oxochromene-2-carbonyl)amino]benzoic acid
CID 3400786
N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide
CID 2474419
[2-(2,5-dimethylanilino)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8876580
N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 20897494
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 17454491
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 53045619
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 4871364
N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 139328086
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-oxochromene-2-carboxylate
CID 25402494
N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide
CID 51928585

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide (CID 23605544) is N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is WBVDKARUHWKQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-11-5-7-17-14(8-11)16(21)10-18(23-17)19(22)20-15-9-12(2)4-6-13(15)3/h4-10H,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide?
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-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-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 23605544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).