N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide

C18H21NO3 — CID 139328086

IUPACN-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC3CCCCC3)cc(=O)c2c1
InChIInChI=1S/C18H21NO3/c1-12-7-8-16-14(9-12)15(20)10-17(22-16)18(21)19-11-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,21)
InChIKeyUJFUSKTTXNFSHP-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.41
Rot. Bonds3

About N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide

N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 139328086) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide
PubChem CID139328086
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC3CCCCC3)cc(=O)c2c1
InChIInChI=1S/C18H21NO3/c1-12-7-8-16-14(9-12)15(20)10-17(22-16)18(21)19-11-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,21)
InChIKeyUJFUSKTTXNFSHP-UHFFFAOYSA-N
XLogP3.41
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide
CID 86227185
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509651
N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-6-methyl-4-oxochromene-2-carboxamide
CID 51928585
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
N-[(4,4-difluorocyclohexyl)methyl]-4-oxochromene-2-carboxamide
CID 139328053
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide
CID 35574240
6-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45132876
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605544
N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide
CID 17487106
2-(1-aminoethyl)-6-methylchromen-4-one
CID 90993613
6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35573765

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide (CID 139328086) is N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide is Cc1ccc2oc(C(=O)NCC3CCCCC3)cc(=O)c2c1.
What is the InChIKey of N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is UJFUSKTTXNFSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-7-8-16-14(9-12)15(20)10-17(22-16)18(21)19-11-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,21).
What are the key properties of N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide?
N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 139328086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).