benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate

C15H14N2O3 — CID 135496292

IUPACbenzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate
SMILESO=C(N/N=C/c1ccc(O)cc1)OCc1ccccc1
InChIInChI=1S/C15H14N2O3/c18-14-8-6-12(7-9-14)10-16-17-15(19)20-11-13-4-2-1-3-5-13/h1-10,18H,11H2,(H,17,19)/b16-10+
InChIKeyZXQWQVGPAAMFOQ-MHWRWJLKSA-N
MW270.29 g/mol
LogP2.65
Rot. Bonds4

About benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate

benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate (PubChem CID 135496292) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namebenzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate
PubChem CID135496292
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namebenzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate
SMILESO=C(N/N=C/c1ccc(O)cc1)OCc1ccccc1
InChIInChI=1S/C15H14N2O3/c18-14-8-6-12(7-9-14)10-16-17-15(19)20-11-13-4-2-1-3-5-13/h1-10,18H,11H2,(H,17,19)/b16-10+
InChIKeyZXQWQVGPAAMFOQ-MHWRWJLKSA-N
XLogP2.65
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate?
The IUPAC name of benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate (CID 135496292) is benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate?
The canonical SMILES for benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate is O=C(N/N=C/c1ccc(O)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate?
The InChIKey is ZXQWQVGPAAMFOQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14-8-6-12(7-9-14)10-16-17-15(19)20-11-13-4-2-1-3-5-13/h1-10,18H,11H2,(H,17,19)/b16-10+.
What are the key properties of benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate?
benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate has a molecular weight of 270.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 135496292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).