methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate

C11H14N2O3 — CID 5417453

IUPACmethyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
SMILESCCOc1ccccc1/C=N\NC(=O)OC
InChIInChI=1S/C11H14N2O3/c1-3-16-10-7-5-4-6-9(10)8-12-13-11(14)15-2/h4-8H,3H2,1-2H3,(H,13,14)/b12-8-
InChIKeyJNKUEOHVMKZGKL-WQLSENKSSA-N
MW222.24 g/mol
LogP1.78
Rot. Bonds4

About methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate

methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate (PubChem CID 5417453) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
PubChem CID5417453
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
SMILESCCOc1ccccc1/C=N\NC(=O)OC
InChIInChI=1S/C11H14N2O3/c1-3-16-10-7-5-4-6-9(10)8-12-13-11(14)15-2/h4-8H,3H2,1-2H3,(H,13,14)/b12-8-
InChIKeyJNKUEOHVMKZGKL-WQLSENKSSA-N
XLogP1.78
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.78
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-[(Z)-(2-ethoxyphenyl)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

Related Compounds

methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7341340
methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 25251887
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate
CID 25251494
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
methyl 4-[[2-[(methoxycarbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2590045
N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968708
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate (CID 5417453) is methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate is CCOc1ccccc1/C=N\NC(=O)OC.
What is the InChIKey of methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate?
The InChIKey is JNKUEOHVMKZGKL-WQLSENKSSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-16-10-7-5-4-6-9(10)8-12-13-11(14)15-2/h4-8H,3H2,1-2H3,(H,13,14)/b12-8-.
What are the key properties of methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate?
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate has a molecular weight of 222.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 5417453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).