benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate

C16H15NO2 — CID 59510759

IUPACbenzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate
SMILESCc1ccccc1/C=N/C(=O)OCc1ccccc1
InChIInChI=1S/C16H15NO2/c1-13-7-5-6-10-15(13)11-17-16(18)19-12-14-8-3-2-4-9-14/h2-11H,12H2,1H3/b17-11+
InChIKeyIBCYCTYAEUTTDR-GZTJUZNOSA-N
MW253.30 g/mol
LogP3.75
Rot. Bonds3

About benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate

benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate (PubChem CID 59510759) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate.

Molecular Properties

Compound Namebenzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate
PubChem CID59510759
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namebenzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate
SMILESCc1ccccc1/C=N/C(=O)OCc1ccccc1
InChIInChI=1S/C16H15NO2/c1-13-7-5-6-10-15(13)11-17-16(18)19-12-14-8-3-2-4-9-14/h2-11H,12H2,1H3/b17-11+
InChIKeyIBCYCTYAEUTTDR-GZTJUZNOSA-N
XLogP3.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate?
The IUPAC name of benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate (CID 59510759) is benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate.
What is the SMILES notation for benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate?
The canonical SMILES for benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate is Cc1ccccc1/C=N/C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate?
The InChIKey is IBCYCTYAEUTTDR-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H15NO2/c1-13-7-5-6-10-15(13)11-17-16(18)19-12-14-8-3-2-4-9-14/h2-11H,12H2,1H3/b17-11+.
What are the key properties of benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate?
benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate has a molecular weight of 253.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (NE)-N-[(2-methylphenyl)methylidene]carbamate is sourced from PubChem (CID 59510759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).