2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide

C21H21NO2 — CID 122395742

IUPAC2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide
SMILESCC1=CC(=O)CC(c2ccccc2)C1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H21NO2/c1-14-8-10-17(11-9-14)22-21(24)20-15(2)12-18(23)13-19(20)16-6-4-3-5-7-16/h3-12,19-20H,13H2,1-2H3,(H,22,24)
InChIKeyQXFBSBZPFHHUCD-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.25
Rot. Bonds3

About 2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide

2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide (PubChem CID 122395742) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide
PubChem CID122395742
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide
SMILESCC1=CC(=O)CC(c2ccccc2)C1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H21NO2/c1-14-8-10-17(11-9-14)22-21(24)20-15(2)12-18(23)13-19(20)16-6-4-3-5-7-16/h3-12,19-20H,13H2,1-2H3,(H,22,24)
InChIKeyQXFBSBZPFHHUCD-UHFFFAOYSA-N
XLogP4.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
(1S,2S,5S,6S)-6-[(4-methylphenyl)carbamoyl]-2,5-diphenylcyclohex-3-ene-1-carboxylic acid
CID 11911077
methyl (1S,6S)-2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate
CID 6943850
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
(1S,2S,5R,6S)-6-[(4-methylphenyl)carbamoyl]-2,5-diphenylcyclohex-3-ene-1-carboxylate
CID 11911074
9,10-dimethyl-N-(4-methylphenyl)-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide
CID 23906193
(4R)-2-(4-methylanilino)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41168544
(4R)-2-anilino-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 40964701
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
2-(4-fluorophenyl)-4-methyl-6-oxo-1-N,3-N-diphenylcyclohex-4-ene-1,3-dicarboxamide
CID 162787156
(1R,9S,12S)-9-methyl-N-(4-methylphenyl)-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide
CID 800525
(1S,9S,12R)-9-methyl-N-(4-methylphenyl)-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide
CID 98123268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide (CID 122395742) is 2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide is CC1=CC(=O)CC(c2ccccc2)C1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide?
The InChIKey is QXFBSBZPFHHUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-14-8-10-17(11-9-14)22-21(24)20-15(2)12-18(23)13-19(20)16-6-4-3-5-7-16/h3-12,19-20H,13H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide?
2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-4-oxo-6-phenylcyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 122395742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).