ethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate

C19H19NO2 — CID 102365286

IUPACethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate
SMILESCCOC(=O)C1=CN(c2ccccc2)CCc2ccccc21
InChIInChI=1S/C19H19NO2/c1-2-22-19(21)18-14-20(16-9-4-3-5-10-16)13-12-15-8-6-7-11-17(15)18/h3-11,14H,2,12-13H2,1H3
InChIKeyVYZUARLEHMZLRB-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.65
Rot. Bonds3

About ethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate

ethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate (PubChem CID 102365286) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate
PubChem CID102365286
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Nameethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate
SMILESCCOC(=O)C1=CN(c2ccccc2)CCc2ccccc21
InChIInChI=1S/C19H19NO2/c1-2-22-19(21)18-14-20(16-9-4-3-5-10-16)13-12-15-8-6-7-11-17(15)18/h3-11,14H,2,12-13H2,1H3
InChIKeyVYZUARLEHMZLRB-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate 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-1,2-dihydro-3-benzazepine-5-carboxylate?
The IUPAC name of ethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate (CID 102365286) is ethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate.
What is the SMILES notation for ethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate?
The canonical SMILES for ethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate is CCOC(=O)C1=CN(c2ccccc2)CCc2ccccc21.
What is the InChIKey of ethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate?
The InChIKey is VYZUARLEHMZLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-22-19(21)18-14-20(16-9-4-3-5-10-16)13-12-15-8-6-7-11-17(15)18/h3-11,14H,2,12-13H2,1H3.
What are the key properties of ethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate?
ethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-1,2-dihydro-3-benzazepine-5-carboxylate is sourced from PubChem (CID 102365286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).