N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide

C23H23NO3 — CID 18568688

IUPACN-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
SMILESCc1cccc(-c2cc(=O)c3cc(NC(=O)C4CCCCC4)ccc3o2)c1
InChIInChI=1S/C23H23NO3/c1-15-6-5-9-17(12-15)22-14-20(25)19-13-18(10-11-21(19)27-22)24-23(26)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,24,26)
InChIKeyIDCUHOUEIITRIO-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.29
Rot. Bonds3

About N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide

N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide (PubChem CID 18568688) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
PubChem CID18568688
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC NameN-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
SMILESCc1cccc(-c2cc(=O)c3cc(NC(=O)C4CCCCC4)ccc3o2)c1
InChIInChI=1S/C23H23NO3/c1-15-6-5-9-17(12-15)22-14-20(25)19-13-18(10-11-21(19)27-22)24-23(26)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,24,26)
InChIKeyIDCUHOUEIITRIO-UHFFFAOYSA-N
XLogP5.29
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide
CID 18568668
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
CID 18568687
2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
CID 110274473
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
CID 98476168
N-dibenzofuran-3-ylcyclohexanecarboxamide
CID 2833464
N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]cyclohexanecarboxamide
CID 20931096
1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146142
N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclobutanecarboxamide
CID 4195188
N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]cyclohexanecarboxamide
CID 4908379
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065843
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide (CID 18568688) is N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide is Cc1cccc(-c2cc(=O)c3cc(NC(=O)C4CCCCC4)ccc3o2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide?
The InChIKey is IDCUHOUEIITRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-15-6-5-9-17(12-15)22-14-20(25)19-13-18(10-11-21(19)27-22)24-23(26)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,24,26).
What are the key properties of N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide?
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide has a molecular weight of 361.44 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide is sourced from PubChem (CID 18568688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).