N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide

C18H27NO2 — CID 104957118

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)N[C@H]1CCCC[C@@H]1O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-13(2)17(14-9-5-4-6-10-14)18(21)19-15-11-7-8-12-16(15)20/h4-6,9-10,13,15-17,20H,3,7-8,11-12H2,1-2H3,(H,19,21)/t13?,15-,16-,17?/m0/s1
InChIKeyWPXBNFFCCJKIJN-DBGUYSSFSA-N
MW289.42 g/mol
LogP3.24
Rot. Bonds5

About N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide

N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide (PubChem CID 104957118) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide
PubChem CID104957118
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)N[C@H]1CCCC[C@@H]1O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-13(2)17(14-9-5-4-6-10-14)18(21)19-15-11-7-8-12-16(15)20/h4-6,9-10,13,15-17,20H,3,7-8,11-12H2,1-2H3,(H,19,21)/t13?,15-,16-,17?/m0/s1
InChIKeyWPXBNFFCCJKIJN-DBGUYSSFSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide
CID 114301195
N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 104957388
3-methyl-2-phenyl-N-(3-phenylpiperidin-4-yl)pentanamide
CID 91573453
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride
CID 119455950
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-phenylpentanamide
CID 65188547
1-cyclohexyl-4-methyl-3-phenylhexan-2-one
CID 114967641
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
CID 107222076
N-(1,3-dihydroxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 65315116
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012
3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide
CID 114793980

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide (CID 104957118) is N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide is CCC(C)C(C(=O)N[C@H]1CCCC[C@@H]1O)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide?
The InChIKey is WPXBNFFCCJKIJN-DBGUYSSFSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-13(2)17(14-9-5-4-6-10-14)18(21)19-15-11-7-8-12-16(15)20/h4-6,9-10,13,15-17,20H,3,7-8,11-12H2,1-2H3,(H,19,21)/t13?,15-,16-,17?/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide has a molecular weight of 289.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 104957118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).