N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C19H27NO2 — CID 21079948

IUPACN-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(C)CCC2C(C)C)cc1
InChIInChI=1S/C19H27NO2/c1-12(2)17-10-5-13(3)11-18(17)19(22)20-16-8-6-15(7-9-16)14(4)21/h6-9,12-13,17-18H,5,10-11H2,1-4H3,(H,20,22)
InChIKeyIPINMMIMRHRFEG-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.54
Rot. Bonds4

About N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 21079948) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID21079948
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(C)CCC2C(C)C)cc1
InChIInChI=1S/C19H27NO2/c1-12(2)17-10-5-13(3)11-18(17)19(22)20-16-8-6-15(7-9-16)14(4)21/h6-9,12-13,17-18H,5,10-11H2,1-4H3,(H,20,22)
InChIKeyIPINMMIMRHRFEG-UHFFFAOYSA-N
XLogP4.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 67477177
(1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 51802099
N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 53345814
5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 59861681
N-(3-hydroxy-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 50906370
N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66761959
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
(1R,2S,5R)-N-[4-(cyanomethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;2-(4-iodophenyl)acetonitrile;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbonyl chloride;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 159062804
5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide
CID 175475904
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
(1R,2S,5R)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 87414752
1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130958

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 21079948) is N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(=O)c1ccc(NC(=O)C2CC(C)CCC2C(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is IPINMMIMRHRFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-12(2)17-10-5-13(3)11-18(17)19(22)20-16-8-6-15(7-9-16)14(4)21/h6-9,12-13,17-18H,5,10-11H2,1-4H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 21079948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).