benzyl N-methyl-N-(2-methylpropyl)carbamate

C13H19NO2 — CID 59699441

IUPACbenzyl N-methyl-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-11(2)9-14(3)13(15)16-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyKPIWJLBNNPBWPV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.91
Rot. Bonds4

About benzyl N-methyl-N-(2-methylpropyl)carbamate

benzyl N-methyl-N-(2-methylpropyl)carbamate (PubChem CID 59699441) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is benzyl N-methyl-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-(2-methylpropyl)carbamate
PubChem CID59699441
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namebenzyl N-methyl-N-(2-methylpropyl)carbamate
SMILESCC(C)CN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-11(2)9-14(3)13(15)16-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyKPIWJLBNNPBWPV-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-(2-methylpropyl)carbamate?
The IUPAC name of benzyl N-methyl-N-(2-methylpropyl)carbamate (CID 59699441) is benzyl N-methyl-N-(2-methylpropyl)carbamate.
What is the SMILES notation for benzyl N-methyl-N-(2-methylpropyl)carbamate?
The canonical SMILES for benzyl N-methyl-N-(2-methylpropyl)carbamate is CC(C)CN(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-(2-methylpropyl)carbamate?
The InChIKey is KPIWJLBNNPBWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11(2)9-14(3)13(15)16-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of benzyl N-methyl-N-(2-methylpropyl)carbamate?
benzyl N-methyl-N-(2-methylpropyl)carbamate has a molecular weight of 221.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 59699441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).