phenyl N-(3-methylphenyl)carbamate

C14H13NO2 — CID 4137083

IUPACphenyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)Oc2ccccc2)c1
InChIInChI=1S/C14H13NO2/c1-11-6-5-7-12(10-11)15-14(16)17-13-8-3-2-4-9-13/h2-10H,1H3,(H,15,16)
InChIKeyIZTYAOFWKLCNPQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.61
Rot. Bonds2

About phenyl N-(3-methylphenyl)carbamate

phenyl N-(3-methylphenyl)carbamate (PubChem CID 4137083) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is phenyl N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-methylphenyl)carbamate
PubChem CID4137083
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Namephenyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)Oc2ccccc2)c1
InChIInChI=1S/C14H13NO2/c1-11-6-5-7-12(10-11)15-14(16)17-13-8-3-2-4-9-13/h2-10H,1H3,(H,15,16)
InChIKeyIZTYAOFWKLCNPQ-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-methylphenyl)carbamate?
The IUPAC name of phenyl N-(3-methylphenyl)carbamate (CID 4137083) is phenyl N-(3-methylphenyl)carbamate.
What is the SMILES notation for phenyl N-(3-methylphenyl)carbamate?
The canonical SMILES for phenyl N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl N-(3-methylphenyl)carbamate?
The InChIKey is IZTYAOFWKLCNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-11-6-5-7-12(10-11)15-14(16)17-13-8-3-2-4-9-13/h2-10H,1H3,(H,15,16).
What are the key properties of phenyl N-(3-methylphenyl)carbamate?
phenyl N-(3-methylphenyl)carbamate has a molecular weight of 227.26 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-methylphenyl)carbamate is sourced from PubChem (CID 4137083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).