benzyl N-(2-methylpropyl)carbamate

C12H17NO2 — CID 14568365

IUPACbenzyl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(2)8-13-12(14)15-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyWMPXWCPDONGZQU-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.57
Rot. Bonds4

About benzyl N-(2-methylpropyl)carbamate

benzyl N-(2-methylpropyl)carbamate (PubChem CID 14568365) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is benzyl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-methylpropyl)carbamate
PubChem CID14568365
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namebenzyl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(2)8-13-12(14)15-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyWMPXWCPDONGZQU-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-methylpropyl)carbamate?
The IUPAC name of benzyl N-(2-methylpropyl)carbamate (CID 14568365) is benzyl N-(2-methylpropyl)carbamate.
What is the SMILES notation for benzyl N-(2-methylpropyl)carbamate?
The canonical SMILES for benzyl N-(2-methylpropyl)carbamate is CC(C)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-methylpropyl)carbamate?
The InChIKey is WMPXWCPDONGZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(2)8-13-12(14)15-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14).
What are the key properties of benzyl N-(2-methylpropyl)carbamate?
benzyl N-(2-methylpropyl)carbamate has a molecular weight of 207.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 14568365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).