ethyl 3-phenyl-3-phenyliminopropanoate

C17H17NO2 — CID 54574162

IUPACethyl 3-phenyl-3-phenyliminopropanoate
SMILESCCOC(=O)C/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-20-17(19)13-16(14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3/b18-16+
InChIKeyZZJOKEKEONEGDY-FBMGVBCBSA-N
MW267.33 g/mol
LogP3.76
Rot. Bonds5

About ethyl 3-phenyl-3-phenyliminopropanoate

ethyl 3-phenyl-3-phenyliminopropanoate (PubChem CID 54574162) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 3-phenyl-3-phenyliminopropanoate.

Molecular Properties

Compound Nameethyl 3-phenyl-3-phenyliminopropanoate
PubChem CID54574162
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Nameethyl 3-phenyl-3-phenyliminopropanoate
SMILESCCOC(=O)C/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-20-17(19)13-16(14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3/b18-16+
InChIKeyZZJOKEKEONEGDY-FBMGVBCBSA-N
XLogP3.76
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 3-phenyl-3-phenyliminopropanoate 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 ethyl 3-phenyl-3-phenyliminopropanoate?
The IUPAC name of ethyl 3-phenyl-3-phenyliminopropanoate (CID 54574162) is ethyl 3-phenyl-3-phenyliminopropanoate.
What is the SMILES notation for ethyl 3-phenyl-3-phenyliminopropanoate?
The canonical SMILES for ethyl 3-phenyl-3-phenyliminopropanoate is CCOC(=O)C/C(=N\c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-phenyl-3-phenyliminopropanoate?
The InChIKey is ZZJOKEKEONEGDY-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-20-17(19)13-16(14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12H,2,13H2,1H3/b18-16+.
What are the key properties of ethyl 3-phenyl-3-phenyliminopropanoate?
ethyl 3-phenyl-3-phenyliminopropanoate has a molecular weight of 267.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-3-phenyliminopropanoate is sourced from PubChem (CID 54574162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).