(2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate

C21H23NO3 — CID 10544928

IUPAC(2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO3/c23-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)25-21(24)22-18-14-8-3-9-15-18/h1-2,4-7,10-13,18,20H,3,8-9,14-15H2,(H,22,24)
InChIKeyWNPHVHIJIXMASW-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.67
Rot. Bonds5

About (2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate

(2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate (PubChem CID 10544928) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate
PubChem CID10544928
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO3/c23-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)25-21(24)22-18-14-8-3-9-15-18/h1-2,4-7,10-13,18,20H,3,8-9,14-15H2,(H,22,24)
InChIKeyWNPHVHIJIXMASW-UHFFFAOYSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone
CID 175482213
phenyl N-cyclooctylcarbamate
CID 60636968
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
(2R,3R)-2,3-dibenzoyloxy-4-(cyclohexylamino)-4-oxobutanoic acid
CID 26476592
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
phenyl N-cyclopentylcarbamate
CID 12791466
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate (CID 10544928) is (2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate is O=C(NC1CCCCC1)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate?
The InChIKey is WNPHVHIJIXMASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)25-21(24)22-18-14-8-3-9-15-18/h1-2,4-7,10-13,18,20H,3,8-9,14-15H2,(H,22,24).
What are the key properties of (2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate?
(2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate has a molecular weight of 337.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) N-cyclohexylcarbamate is sourced from PubChem (CID 10544928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).