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

C22H21NO3 — CID 166200068

IUPAC3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NC3CCC3C)cccc2c1=O
InChIInChI=1S/C22H21NO3/c1-13-11-12-18(13)23-22(25)17-10-6-9-16-19(24)14(2)20(26-21(16)17)15-7-4-3-5-8-15/h3-10,13,18H,11-12H2,1-2H3,(H,23,25)
InChIKeyGORYWDOEUOBLGH-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.30
Rot. Bonds3

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

3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 166200068) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID166200068
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NC3CCC3C)cccc2c1=O
InChIInChI=1S/C22H21NO3/c1-13-11-12-18(13)23-22(25)17-10-6-9-16-19(24)14(2)20(26-21(16)17)15-7-4-3-5-8-15/h3-10,13,18H,11-12H2,1-2H3,(H,23,25)
InChIKeyGORYWDOEUOBLGH-UHFFFAOYSA-N
XLogP4.30
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 166196179
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
1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid
CID 119166358
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
8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 78802519
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 2456791

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide (CID 166200068) is 3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)NC3CCC3C)cccc2c1=O.
What is the InChIKey of 3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is GORYWDOEUOBLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-13-11-12-18(13)23-22(25)17-10-6-9-16-19(24)14(2)20(26-21(16)17)15-7-4-3-5-8-15/h3-10,13,18H,11-12H2,1-2H3,(H,23,25).
What are the key properties of 3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide?
3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 4.30, 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-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 166200068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).