N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide

C22H21NO3 — CID 51928585

IUPACN-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc([C@@H](NC(=O)c2cc(=O)c3cc(C)ccc3o2)C2CC2)cc1
InChIInChI=1S/C22H21NO3/c1-13-3-6-15(7-4-13)21(16-8-9-16)23-22(25)20-12-18(24)17-11-14(2)5-10-19(17)26-20/h3-7,10-12,16,21H,8-9H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyLYYWAIRWWBAGOE-OAQYLSRUSA-N
MW347.41 g/mol
LogP4.29
Rot. Bonds4

About N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide

N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 51928585) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide
PubChem CID51928585
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc([C@@H](NC(=O)c2cc(=O)c3cc(C)ccc3o2)C2CC2)cc1
InChIInChI=1S/C22H21NO3/c1-13-3-6-15(7-4-13)21(16-8-9-16)23-22(25)20-12-18(24)17-11-14(2)5-10-19(17)26-20/h3-7,10-12,16,21H,8-9H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyLYYWAIRWWBAGOE-OAQYLSRUSA-N
XLogP4.29
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 139328086
2-(1-aminoethyl)-6-methylchromen-4-one
CID 90993613
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605544
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55668381
N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 16648984
N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 51296320
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide
CID 35574240
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39966113
6-bromo-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 45155004
N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 47016466

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide (CID 51928585) is N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide is Cc1ccc([C@@H](NC(=O)c2cc(=O)c3cc(C)ccc3o2)C2CC2)cc1.
What is the InChIKey of N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is LYYWAIRWWBAGOE-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21NO3/c1-13-3-6-15(7-4-13)21(16-8-9-16)23-22(25)20-12-18(24)17-11-14(2)5-10-19(17)26-20/h3-7,10-12,16,21H,8-9H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide?
N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 51928585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).