methyl N-(1,2-diphenylethyl)carbamate

C16H17NO2 — CID 139785732

IUPACmethyl N-(1,2-diphenylethyl)carbamate
SMILESCOC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)17-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H,17,18)
InChIKeyALJGTGQUHPBNPW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.33
Rot. Bonds4

About methyl N-(1,2-diphenylethyl)carbamate

methyl N-(1,2-diphenylethyl)carbamate (PubChem CID 139785732) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl N-(1,2-diphenylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,2-diphenylethyl)carbamate
PubChem CID139785732
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namemethyl N-(1,2-diphenylethyl)carbamate
SMILESCOC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)17-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H,17,18)
InChIKeyALJGTGQUHPBNPW-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide
CID 21419374
1,2-diphenylethylurea
CID 2853470
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
methyl N-(1-methoxy-2-phenylethyl)carbamate
CID 11085058
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate
CID 102141553
(2R)-2-(methoxycarbonylamino)-3-phenylpropanethioic S-acid
CID 149453247
N-(1,2-diphenylethyl)pentanamide
CID 134014505
methyl N-[(1S)-1-phenyl-2-[(S)-phenylsulfinyl]ethyl]carbamate
CID 11034025
1-[(1S)-1,2-diphenylethyl]-3-prop-2-ynylurea
CID 36512732
4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55373772

Frequently Asked Questions

What is the IUPAC name of methyl N-(1,2-diphenylethyl)carbamate?
The IUPAC name of methyl N-(1,2-diphenylethyl)carbamate (CID 139785732) is methyl N-(1,2-diphenylethyl)carbamate.
What is the SMILES notation for methyl N-(1,2-diphenylethyl)carbamate?
The canonical SMILES for methyl N-(1,2-diphenylethyl)carbamate is COC(=O)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-(1,2-diphenylethyl)carbamate?
The InChIKey is ALJGTGQUHPBNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-16(18)17-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H,17,18).
What are the key properties of methyl N-(1,2-diphenylethyl)carbamate?
methyl N-(1,2-diphenylethyl)carbamate has a molecular weight of 255.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,2-diphenylethyl)carbamate is sourced from PubChem (CID 139785732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).