4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide

C18H27NO — CID 143582759

IUPAC4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)N[C@@H](C)Cc2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-3-15-9-11-17(12-10-15)18(20)19-14(2)13-16-7-5-4-6-8-16/h4-8,14-15,17H,3,9-13H2,1-2H3,(H,19,20)/t14-,15?,17?/m0/s1
InChIKeyZSYFMMMBRUURNL-UQPPLGOBSA-N
MW273.42 g/mol
LogP3.95
Rot. Bonds5

About 4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide

4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide (PubChem CID 143582759) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide
PubChem CID143582759
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)N[C@@H](C)Cc2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-3-15-9-11-17(12-10-15)18(20)19-14(2)13-16-7-5-4-6-8-16/h4-8,14-15,17H,3,9-13H2,1-2H3,(H,19,20)/t14-,15?,17?/m0/s1
InChIKeyZSYFMMMBRUURNL-UQPPLGOBSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120692306
1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide
CID 145353936
N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide
CID 90429490
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 14233114
1-benzyl-N-(1-pyridin-4-ylpropan-2-yl)piperidine-4-carboxamide
CID 138044187
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420
ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide
CID 169246868
ethanol;(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid
CID 68836892
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide (CID 143582759) is 4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide is CCC1CCC(C(=O)N[C@@H](C)Cc2ccccc2)CC1.
What is the InChIKey of 4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is ZSYFMMMBRUURNL-UQPPLGOBSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-15-9-11-17(12-10-15)18(20)19-14(2)13-16-7-5-4-6-8-16/h4-8,14-15,17H,3,9-13H2,1-2H3,(H,19,20)/t14-,15?,17?/m0/s1.
What are the key properties of 4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide?
4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 143582759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).