N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide

C18H26ClNO — CID 114301195

IUPACN-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NC1CCCCC1Cl)c1ccccc1
InChIInChI=1S/C18H26ClNO/c1-3-13(2)17(14-9-5-4-6-10-14)18(21)20-16-12-8-7-11-15(16)19/h4-6,9-10,13,15-17H,3,7-8,11-12H2,1-2H3,(H,20,21)
InChIKeyQHZUIUUGCCHLNL-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.48
Rot. Bonds5

About N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide

N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide (PubChem CID 114301195) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide
PubChem CID114301195
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC NameN-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NC1CCCCC1Cl)c1ccccc1
InChIInChI=1S/C18H26ClNO/c1-3-13(2)17(14-9-5-4-6-10-14)18(21)20-16-12-8-7-11-15(16)19/h4-6,9-10,13,15-17H,3,7-8,11-12H2,1-2H3,(H,20,21)
InChIKeyQHZUIUUGCCHLNL-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide
CID 104957118
3-methyl-2-phenyl-N-(3-phenylpiperidin-4-yl)pentanamide
CID 91573453
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride
CID 119455950
N-(1,3-dihydroxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 65315116
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-phenylpentanamide
CID 65188547
1-cyclohexyl-4-methyl-3-phenylhexan-2-one
CID 114967641
N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide
CID 106366938
N-(3-chloro-2-methylpropyl)-3-methyl-2-phenylpentanamide
CID 114302680
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012
3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide
CID 114793980
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772669
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772661

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide?
The IUPAC name of N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide (CID 114301195) is N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide is CCC(C)C(C(=O)NC1CCCCC1Cl)c1ccccc1.
What is the InChIKey of N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide?
The InChIKey is QHZUIUUGCCHLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-3-13(2)17(14-9-5-4-6-10-14)18(21)20-16-12-8-7-11-15(16)19/h4-6,9-10,13,15-17H,3,7-8,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide?
N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide has a molecular weight of 307.86 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 114301195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).