tert-butyl N-benzyl-N-methylcarbamate

C13H19NO2 — CID 10922066

IUPACtert-butyl N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO2/c1-13(2,3)16-12(15)14(4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyLPXIOYIHXNPBCQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.05
Rot. Bonds2

About tert-butyl N-benzyl-N-methylcarbamate

tert-butyl N-benzyl-N-methylcarbamate (PubChem CID 10922066) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-methylcarbamate
PubChem CID10922066
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nametert-butyl N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO2/c1-13(2,3)16-12(15)14(4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyLPXIOYIHXNPBCQ-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-methylcarbamate?
The IUPAC name of tert-butyl N-benzyl-N-methylcarbamate (CID 10922066) is tert-butyl N-benzyl-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-methylcarbamate?
The canonical SMILES for tert-butyl N-benzyl-N-methylcarbamate is CN(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-methylcarbamate?
The InChIKey is LPXIOYIHXNPBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)16-12(15)14(4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of tert-butyl N-benzyl-N-methylcarbamate?
tert-butyl N-benzyl-N-methylcarbamate has a molecular weight of 221.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-methylcarbamate is sourced from PubChem (CID 10922066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).