methyl N-benzyl-N-methoxycarbonylcarbamate

C11H13NO4 — CID 23462472

IUPACmethyl N-benzyl-N-methoxycarbonylcarbamate
SMILESCOC(=O)N(Cc1ccccc1)C(=O)OC
InChIInChI=1S/C11H13NO4/c1-15-10(13)12(11(14)16-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyIOZPIVODTBSDDT-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.02
Rot. Bonds2

About methyl N-benzyl-N-methoxycarbonylcarbamate

methyl N-benzyl-N-methoxycarbonylcarbamate (PubChem CID 23462472) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl N-benzyl-N-methoxycarbonylcarbamate.

Molecular Properties

Compound Namemethyl N-benzyl-N-methoxycarbonylcarbamate
PubChem CID23462472
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl N-benzyl-N-methoxycarbonylcarbamate
SMILESCOC(=O)N(Cc1ccccc1)C(=O)OC
InChIInChI=1S/C11H13NO4/c1-15-10(13)12(11(14)16-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyIOZPIVODTBSDDT-UHFFFAOYSA-N
XLogP2.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N,N'-dibenzyl-N,N'-dimethylpropanediamide
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methyl (E)-3-(dibenzylamino)prop-2-enoate
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CID 112685507

Frequently Asked Questions

What is the IUPAC name of methyl N-benzyl-N-methoxycarbonylcarbamate?
The IUPAC name of methyl N-benzyl-N-methoxycarbonylcarbamate (CID 23462472) is methyl N-benzyl-N-methoxycarbonylcarbamate.
What is the SMILES notation for methyl N-benzyl-N-methoxycarbonylcarbamate?
The canonical SMILES for methyl N-benzyl-N-methoxycarbonylcarbamate is COC(=O)N(Cc1ccccc1)C(=O)OC.
What is the InChIKey of methyl N-benzyl-N-methoxycarbonylcarbamate?
The InChIKey is IOZPIVODTBSDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-10(13)12(11(14)16-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of methyl N-benzyl-N-methoxycarbonylcarbamate?
methyl N-benzyl-N-methoxycarbonylcarbamate has a molecular weight of 223.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-benzyl-N-methoxycarbonylcarbamate is sourced from PubChem (CID 23462472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).