methyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate

C15H14N2O3 — CID 6904591

IUPACmethyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H14N2O3/c1-19-15(18)17-16-11-12-7-9-14(10-8-12)20-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b16-11+
InChIKeyORTVTTPCILAKGW-LFIBNONCSA-N
MW270.29 g/mol
LogP3.17
Rot. Bonds4

About methyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate

methyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate (PubChem CID 6904591) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate
PubChem CID6904591
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namemethyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H14N2O3/c1-19-15(18)17-16-11-12-7-9-14(10-8-12)20-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b16-11+
InChIKeyORTVTTPCILAKGW-LFIBNONCSA-N
XLogP3.17
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[(E)-(4-phenoxyphenyl)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 methyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate (CID 6904591) is methyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate is COC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of methyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate?
The InChIKey is ORTVTTPCILAKGW-LFIBNONCSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-19-15(18)17-16-11-12-7-9-14(10-8-12)20-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b16-11+.
What are the key properties of methyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate?
methyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate has a molecular weight of 270.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-(4-phenoxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 6904591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).