[(E)-1-phenylethylideneamino] N-ethylcarbamate

C11H14N2O2 — CID 121217910

IUPAC[(E)-1-phenylethylideneamino] N-ethylcarbamate
SMILESCCNC(=O)O/N=C(\C)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-3-12-11(14)15-13-9(2)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,12,14)/b13-9+
InChIKeyUBTZEZOIEUXYNL-UKTHLTGXSA-N
MW206.25 g/mol
LogP2.16
Rot. Bonds3

About [(E)-1-phenylethylideneamino] N-ethylcarbamate

[(E)-1-phenylethylideneamino] N-ethylcarbamate (PubChem CID 121217910) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is [(E)-1-phenylethylideneamino] N-ethylcarbamate.

Molecular Properties

Compound Name[(E)-1-phenylethylideneamino] N-ethylcarbamate
PubChem CID121217910
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name[(E)-1-phenylethylideneamino] N-ethylcarbamate
SMILESCCNC(=O)O/N=C(\C)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-3-12-11(14)15-13-9(2)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,12,14)/b13-9+
InChIKeyUBTZEZOIEUXYNL-UKTHLTGXSA-N
XLogP2.16
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(E)-1-phenylethylideneamino] N-ethylcarbamate 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

ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate
CID 172950425
[(E)-1-phenylethylideneamino] acetate
CID 5392489
N-ethylbenzamide
CID 160772566
[(E)-1-phenylethylideneamino] 2-methylprop-2-enoate
CID 14745058
N-ethylbenzamide;hydrochloride
CID 57444995
N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine
CID 10242092
N-(ethylcarbamoyl)benzamide
CID 23273840
[(E)-1-naphthalen-2-ylethylideneamino] benzoate
CID 18602824
(1-phenylethylideneamino) naphthalene-2-carboxylate
CID 76708666
[(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate
CID 6149846
N-diethylboranylbenzamide
CID 568799
[4-[(E)-C-methyl-N-[6-[[(E)-1-[4-(2-methylprop-2-enoyloxy)phenyl]ethylideneamino]oxycarbonylamino]hexylcarbamoyloxy]carbonimidoyl]phenyl] 2-methylprop-2-enoate
CID 177408604

Frequently Asked Questions

What is the IUPAC name of [(E)-1-phenylethylideneamino] N-ethylcarbamate?
The IUPAC name of [(E)-1-phenylethylideneamino] N-ethylcarbamate (CID 121217910) is [(E)-1-phenylethylideneamino] N-ethylcarbamate.
What is the SMILES notation for [(E)-1-phenylethylideneamino] N-ethylcarbamate?
The canonical SMILES for [(E)-1-phenylethylideneamino] N-ethylcarbamate is CCNC(=O)O/N=C(\C)c1ccccc1.
What is the InChIKey of [(E)-1-phenylethylideneamino] N-ethylcarbamate?
The InChIKey is UBTZEZOIEUXYNL-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-12-11(14)15-13-9(2)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,12,14)/b13-9+.
What are the key properties of [(E)-1-phenylethylideneamino] N-ethylcarbamate?
[(E)-1-phenylethylideneamino] N-ethylcarbamate has a molecular weight of 206.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-phenylethylideneamino] N-ethylcarbamate is sourced from PubChem (CID 121217910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).