3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide

C23H23NO3 — CID 166196179

IUPAC3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NC3CCCC3C)cccc2c1=O
InChIInChI=1S/C23H23NO3/c1-14-8-6-13-19(14)24-23(26)18-12-7-11-17-20(25)15(2)21(27-22(17)18)16-9-4-3-5-10-16/h3-5,7,9-12,14,19H,6,8,13H2,1-2H3,(H,24,26)
InChIKeyGOXYCVQFJVXXJG-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.69
Rot. Bonds3

About 3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide

3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 166196179) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID166196179
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NC3CCCC3C)cccc2c1=O
InChIInChI=1S/C23H23NO3/c1-14-8-6-13-19(14)24-23(26)18-12-7-11-17-20(25)15(2)21(27-22(17)18)16-9-4-3-5-10-16/h3-5,7,9-12,14,19H,6,8,13H2,1-2H3,(H,24,26)
InChIKeyGOXYCVQFJVXXJG-UHFFFAOYSA-N
XLogP4.69
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 166200068
N-(4-cyanopiperidin-3-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166291812
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 40946836
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate
CID 60560484
N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 46553863
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 41009907
8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 78802519
3-methyl-4-oxo-2-phenyl-N-(2-piperidin-3-ylethyl)chromene-8-carboxamide;hydrochloride
CID 119557566
N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8884598

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide (CID 166196179) is 3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)NC3CCCC3C)cccc2c1=O.
What is the InChIKey of 3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is GOXYCVQFJVXXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-14-8-6-13-19(14)24-23(26)18-12-7-11-17-20(25)15(2)21(27-22(17)18)16-9-4-3-5-10-16/h3-5,7,9-12,14,19H,6,8,13H2,1-2H3,(H,24,26).
What are the key properties of 3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide?
3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 166196179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).