1,1-diphenylethyl carbamate

C15H15NO2 — CID 20976713

IUPAC1,1-diphenylethyl carbamate
SMILESCC(OC(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO2/c1-15(18-14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,16,17)
InChIKeyKWWMBYLSZSWUIE-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.05
Rot. Bonds3

About 1,1-diphenylethyl carbamate

1,1-diphenylethyl carbamate (PubChem CID 20976713) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1,1-diphenylethyl carbamate.

Molecular Properties

Compound Name1,1-diphenylethyl carbamate
PubChem CID20976713
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1,1-diphenylethyl carbamate
SMILESCC(OC(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO2/c1-15(18-14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,16,17)
InChIKeyKWWMBYLSZSWUIE-UHFFFAOYSA-N
XLogP3.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylpropan-2-yl carbamate;propane
CID 175117543
[dichloro(phenyl)methyl] carbamate
CID 66779545
2-phenylpropan-2-yl carbamate;triazine
CID 175317110
benzoic acid;tert-butyl carbamate;methanethiol
CID 168913847
tert-butyl carbamate;1-methyl-4-phenylbenzene
CID 174572065
(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
[carbamoyloxy(diphenyl)methyl] N-ethylcarbamate
CID 164942360
(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
[1-[1-(4-bromophenyl)-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethyl] carbamate
CID 175136024
(2-methyl-5-phenylhexan-2-yl) carbamate
CID 174566123
(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate
CID 150050073

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylethyl carbamate?
The IUPAC name of 1,1-diphenylethyl carbamate (CID 20976713) is 1,1-diphenylethyl carbamate.
What is the SMILES notation for 1,1-diphenylethyl carbamate?
The canonical SMILES for 1,1-diphenylethyl carbamate is CC(OC(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylethyl carbamate?
The InChIKey is KWWMBYLSZSWUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-15(18-14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,16,17).
What are the key properties of 1,1-diphenylethyl carbamate?
1,1-diphenylethyl carbamate has a molecular weight of 241.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylethyl carbamate is sourced from PubChem (CID 20976713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).