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

C23H23NO3 — CID 18568687

IUPACN-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
SMILESCc1ccccc1-c1cc(=O)c2cc(NC(=O)C3CCCCC3)ccc2o1
InChIInChI=1S/C23H23NO3/c1-15-7-5-6-10-18(15)22-14-20(25)19-13-17(11-12-21(19)27-22)24-23(26)16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9H2,1H3,(H,24,26)
InChIKeyHLKGSNJOMDBXRM-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.29
Rot. Bonds3

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

N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide (PubChem CID 18568687) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
PubChem CID18568687
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC NameN-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
SMILESCc1ccccc1-c1cc(=O)c2cc(NC(=O)C3CCCCC3)ccc2o1
InChIInChI=1S/C23H23NO3/c1-15-7-5-6-10-18(15)22-14-20(25)19-13-17(11-12-21(19)27-22)24-23(26)16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9H2,1H3,(H,24,26)
InChIKeyHLKGSNJOMDBXRM-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-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
CID 18568688
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
CID 98476168
4-fluoro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568714
N-dibenzofuran-3-ylcyclohexanecarboxamide
CID 2833464
N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568712
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]cyclopropanecarboxamide
CID 98476235
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
2-(2-methylphenyl)chromen-4-one
CID 776385
N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]cyclohexanecarboxamide
CID 20931096
N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide
CID 42571450
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide (CID 18568687) is N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide is Cc1ccccc1-c1cc(=O)c2cc(NC(=O)C3CCCCC3)ccc2o1.
What is the InChIKey of N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide?
The InChIKey is HLKGSNJOMDBXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-15-7-5-6-10-18(15)22-14-20(25)19-13-17(11-12-21(19)27-22)24-23(26)16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9H2,1H3,(H,24,26).
What are the key properties of N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide?
N-[2-(2-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-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide is sourced from PubChem (CID 18568687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).