[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate

C15H14N2O3 — CID 5406978

IUPAC[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)O/N=C\c2ccccc2)cc1
InChIInChI=1S/C15H14N2O3/c1-19-14-9-7-13(8-10-14)17-15(18)20-16-11-12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)/b16-11-
InChIKeyTZKNCCSAQUKSHR-WJDWOHSUSA-N
MW270.29 g/mol
LogP3.28
Rot. Bonds4

About [(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate

[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate (PubChem CID 5406978) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
PubChem CID5406978
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)O/N=C\c2ccccc2)cc1
InChIInChI=1S/C15H14N2O3/c1-19-14-9-7-13(8-10-14)17-15(18)20-16-11-12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)/b16-11-
InChIKeyTZKNCCSAQUKSHR-WJDWOHSUSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

[(Z)-benzylideneamino] N-(4-methylphenyl)carbamate
CID 5409159
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
[(E)-benzylideneamino] 4-methoxybenzoate
CID 10634747
N'-(benzylideneamino)-N-(4-methoxyphenyl)propanediamide
CID 5156637
[[4-(2-phenylethynyl)phenyl]methylideneamino] N-[4-(trifluoromethoxy)phenyl]carbamate
CID 2822195
(fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate
CID 748240
(Z)-2-methoxy-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 56968197
2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide
CID 70606724
[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate
CID 20872751
(E)-1-(4-methoxyphenyl)-N-phenoxymethanimine
CID 11790929
[(E)-pyridin-3-ylmethylideneamino] N-(4-propoxyphenyl)carbamate
CID 20872731
N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656

Frequently Asked Questions

What is the IUPAC name of [(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate?
The IUPAC name of [(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate (CID 5406978) is [(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for [(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate?
The canonical SMILES for [(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)O/N=C\c2ccccc2)cc1.
What is the InChIKey of [(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate?
The InChIKey is TZKNCCSAQUKSHR-WJDWOHSUSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-19-14-9-7-13(8-10-14)17-15(18)20-16-11-12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)/b16-11-.
What are the key properties of [(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate?
[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate has a molecular weight of 270.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 5406978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).