(111C)methyl N,N-dibenzylcarbamate

C16H17NO2 — CID 10106358

IUPAC(111C)methyl N,N-dibenzylcarbamate
SMILES[11CH3]OC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)17(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3/i1-1
InChIKeyPCTVBWJXLLPNGI-BJUDXGSMSA-N
MW254.32 g/mol
LogP3.46
Rot. Bonds4

About (111C)methyl N,N-dibenzylcarbamate

(111C)methyl N,N-dibenzylcarbamate (PubChem CID 10106358) has the molecular formula C16H17NO2 and a molecular weight of 254.32 g/mol. Its IUPAC name is (111C)methyl N,N-dibenzylcarbamate.

Molecular Properties

Compound Name(111C)methyl N,N-dibenzylcarbamate
PubChem CID10106358
Molecular FormulaC16H17NO2
Molecular Weight254.32 g/mol
Exact Mass254.14
IUPAC Name(111C)methyl N,N-dibenzylcarbamate
SMILES[11CH3]OC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)17(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3/i1-1
InChIKeyPCTVBWJXLLPNGI-BJUDXGSMSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(methoxycarbonylamino) N-benzyl-N-ethylcarbamate
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2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
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N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane
CID 21119463
benzyl-(2-bromo-2-methoxyethyl)carbamic acid
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(carbamoyloxydisulfanyl) N,N-dibenzylcarbamate
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Frequently Asked Questions

What is the IUPAC name of (111C)methyl N,N-dibenzylcarbamate?
The IUPAC name of (111C)methyl N,N-dibenzylcarbamate (CID 10106358) is (111C)methyl N,N-dibenzylcarbamate.
What is the SMILES notation for (111C)methyl N,N-dibenzylcarbamate?
The canonical SMILES for (111C)methyl N,N-dibenzylcarbamate is [11CH3]OC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (111C)methyl N,N-dibenzylcarbamate?
The InChIKey is PCTVBWJXLLPNGI-BJUDXGSMSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-16(18)17(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3/i1-1.
What are the key properties of (111C)methyl N,N-dibenzylcarbamate?
(111C)methyl N,N-dibenzylcarbamate has a molecular weight of 254.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (111C)methyl N,N-dibenzylcarbamate is sourced from PubChem (CID 10106358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).