benzyl N-(4-methylphenyl)carbamate

C15H15NO2 — CID 562148

IUPACbenzyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c1-12-7-9-14(10-8-12)16-15(17)18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyVPKOEGIQXNQBHD-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.74
Rot. Bonds3

About benzyl N-(4-methylphenyl)carbamate

benzyl N-(4-methylphenyl)carbamate (PubChem CID 562148) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is benzyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-methylphenyl)carbamate
PubChem CID562148
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namebenzyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c1-12-7-9-14(10-8-12)16-15(17)18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyVPKOEGIQXNQBHD-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-methylphenyl)carbamate?
The IUPAC name of benzyl N-(4-methylphenyl)carbamate (CID 562148) is benzyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for benzyl N-(4-methylphenyl)carbamate?
The canonical SMILES for benzyl N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-(4-methylphenyl)carbamate?
The InChIKey is VPKOEGIQXNQBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-12-7-9-14(10-8-12)16-15(17)18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of benzyl N-(4-methylphenyl)carbamate?
benzyl N-(4-methylphenyl)carbamate has a molecular weight of 241.29 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 562148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).