(1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate

C17H23NO3 — CID 164677334

IUPAC(1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate
SMILESCC(OC(=O)N(C)C1CCCCC1)C(=O)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(16(19)14-9-5-3-6-10-14)21-17(20)18(2)15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3
InChIKeyNLRMWNCJLZFQAS-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.66
Rot. Bonds4

About (1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate

(1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate (PubChem CID 164677334) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate
PubChem CID164677334
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate
SMILESCC(OC(=O)N(C)C1CCCCC1)C(=O)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(16(19)14-9-5-3-6-10-14)21-17(20)18(2)15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3
InChIKeyNLRMWNCJLZFQAS-UHFFFAOYSA-N
XLogP3.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2301265
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CID 11758792
[2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate
CID 138963596
[1-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl] N,N-dibutylcarbamate
CID 164679587
(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate
CID 58710946
tert-butyl(2R)-2-benzoylmorpholine-4-carboxylate
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phenacyl N,N-diethylcarbamate
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[2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate
CID 138964366

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate (CID 164677334) is (1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate is CC(OC(=O)N(C)C1CCCCC1)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate?
The InChIKey is NLRMWNCJLZFQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13(16(19)14-9-5-3-6-10-14)21-17(20)18(2)15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate?
(1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate has a molecular weight of 289.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) N-cyclohexyl-N-methylcarbamate is sourced from PubChem (CID 164677334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).