benzyl N-[(2-methylphenyl)methyl]carbamate

C16H17NO2 — CID 127503615

IUPACbenzyl N-[(2-methylphenyl)methyl]carbamate
SMILESCc1ccccc1CNC(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-13-7-5-6-10-15(13)11-17-16(18)19-12-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyCYKWVSBHQSPIDA-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.42
Rot. Bonds4

About benzyl N-[(2-methylphenyl)methyl]carbamate

benzyl N-[(2-methylphenyl)methyl]carbamate (PubChem CID 127503615) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is benzyl N-[(2-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2-methylphenyl)methyl]carbamate
PubChem CID127503615
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namebenzyl N-[(2-methylphenyl)methyl]carbamate
SMILESCc1ccccc1CNC(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-13-7-5-6-10-15(13)11-17-16(18)19-12-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyCYKWVSBHQSPIDA-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2-methylphenyl)methyl]carbamate?
The IUPAC name of benzyl N-[(2-methylphenyl)methyl]carbamate (CID 127503615) is benzyl N-[(2-methylphenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(2-methylphenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(2-methylphenyl)methyl]carbamate is Cc1ccccc1CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2-methylphenyl)methyl]carbamate?
The InChIKey is CYKWVSBHQSPIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13-7-5-6-10-15(13)11-17-16(18)19-12-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of benzyl N-[(2-methylphenyl)methyl]carbamate?
benzyl N-[(2-methylphenyl)methyl]carbamate has a molecular weight of 255.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2-methylphenyl)methyl]carbamate is sourced from PubChem (CID 127503615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).