2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide

C24H30N2O2 — CID 58862999

IUPAC2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2CCCC(CC(=O)Nc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C24H30N2O2/c1-17-6-10-21(11-7-17)25-23(27)15-19-4-3-5-20(14-19)16-24(28)26-22-12-8-18(2)9-13-22/h6-13,19-20H,3-5,14-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyKSZHGBWWYWMEJO-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.47
Rot. Bonds6

About 2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide

2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide (PubChem CID 58862999) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide
PubChem CID58862999
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2CCCC(CC(=O)Nc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C24H30N2O2/c1-17-6-10-21(11-7-17)25-23(27)15-19-4-3-5-20(14-19)16-24(28)26-22-12-8-18(2)9-13-22/h6-13,19-20H,3-5,14-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyKSZHGBWWYWMEJO-UHFFFAOYSA-N
XLogP5.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-cyclobutyl-N-(4-formylphenyl)acetamide
CID 106912258
2-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)cyclopentane-1-carboxamide
CID 20735464
2-[(3-ethylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 64742801
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
2-cyclobutyl-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 103163862
5-[(2-cyclobutylacetyl)amino]-2-methylbenzoic acid
CID 113352851

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide (CID 58862999) is 2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2CCCC(CC(=O)Nc3ccc(C)cc3)C2)cc1.
What is the InChIKey of 2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide?
The InChIKey is KSZHGBWWYWMEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17-6-10-21(11-7-17)25-23(27)15-19-4-3-5-20(14-19)16-24(28)26-22-12-8-18(2)9-13-22/h6-13,19-20H,3-5,14-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide?
2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide has a molecular weight of 378.52 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 58862999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).