N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide

C19H29NO — CID 59422599

IUPACN-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)N[C@@H](C)Cc2ccccc2)CC1
InChIInChI=1S/C19H29NO/c1-14(2)17-9-11-18(12-10-17)19(21)20-15(3)13-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3,(H,20,21)/t15-,17?,18?/m0/s1
InChIKeyLXJXLQQEYHGVEH-ZLPCBKJTSA-N
MW287.45 g/mol
LogP4.20
Rot. Bonds5

About N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide

N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 59422599) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID59422599
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)N[C@@H](C)Cc2ccccc2)CC1
InChIInChI=1S/C19H29NO/c1-14(2)17-9-11-18(12-10-17)19(21)20-15(3)13-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3,(H,20,21)/t15-,17?,18?/m0/s1
InChIKeyLXJXLQQEYHGVEH-ZLPCBKJTSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420
4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 143582759
ethanol;(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid
CID 68836892
trans-(1R,4R)-N-[(2R)-1-oxo-3-phenylpropan-2-yl]-4-propan-2-ylcycloheptane-1-carboxamide
CID 143582761
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
[(2S)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoyl] (2S)-2-amino-3-phenylpropanoate
CID 10139735
(2S)-4-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 142848800
4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120692306
2,3,3-trideuterio-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid
CID 89062607
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide
CID 145353936
N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide
CID 142081270

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide (CID 59422599) is N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1CCC(C(=O)N[C@@H](C)Cc2ccccc2)CC1.
What is the InChIKey of N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is LXJXLQQEYHGVEH-ZLPCBKJTSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)17-9-11-18(12-10-17)19(21)20-15(3)13-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3,(H,20,21)/t15-,17?,18?/m0/s1.
What are the key properties of N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide?
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 287.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 59422599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).