benzyl N-benzyl-N-methylcarbamate

C16H17NO2 — CID 11076031

IUPACbenzyl N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-17(12-14-8-4-2-5-9-14)16(18)19-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyIWYVLINLUWHZED-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.46
Rot. Bonds4

About benzyl N-benzyl-N-methylcarbamate

benzyl N-benzyl-N-methylcarbamate (PubChem CID 11076031) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is benzyl N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-methylcarbamate
PubChem CID11076031
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namebenzyl N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-17(12-14-8-4-2-5-9-14)16(18)19-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyIWYVLINLUWHZED-UHFFFAOYSA-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 ≤ 500255.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Benzyl 5,6-dihydropyridine-1(2H)-carboxylate
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benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate
CID 46877990
3-[4-[Benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
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Benzyl phenethylcarbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-methylcarbamate?
The IUPAC name of benzyl N-benzyl-N-methylcarbamate (CID 11076031) is benzyl N-benzyl-N-methylcarbamate.
What is the SMILES notation for benzyl N-benzyl-N-methylcarbamate?
The canonical SMILES for benzyl N-benzyl-N-methylcarbamate is CN(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-benzyl-N-methylcarbamate?
The InChIKey is IWYVLINLUWHZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17(12-14-8-4-2-5-9-14)16(18)19-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of benzyl N-benzyl-N-methylcarbamate?
benzyl N-benzyl-N-methylcarbamate has a molecular weight of 255.32 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 benzyl N-benzyl-N-methylcarbamate is sourced from PubChem (CID 11076031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).