2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one

C14H19NO2 — CID 162631433

IUPAC2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one
SMILESCCOCCN1Cc2ccccc2CCC1=O
InChIInChI=1S/C14H19NO2/c1-2-17-10-9-15-11-13-6-4-3-5-12(13)7-8-14(15)16/h3-6H,2,7-11H2,1H3
InChIKeyOCMCTSNSVKOEEO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds4

About 2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one

2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one (PubChem CID 162631433) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one
PubChem CID162631433
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one
SMILESCCOCCN1Cc2ccccc2CCC1=O
InChIInChI=1S/C14H19NO2/c1-2-17-10-9-15-11-13-6-4-3-5-12(13)7-8-14(15)16/h3-6H,2,7-11H2,1H3
InChIKeyOCMCTSNSVKOEEO-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one 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 2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one?
The IUPAC name of 2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one (CID 162631433) is 2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one?
The canonical SMILES for 2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one is CCOCCN1Cc2ccccc2CCC1=O.
What is the InChIKey of 2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one?
The InChIKey is OCMCTSNSVKOEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-17-10-9-15-11-13-6-4-3-5-12(13)7-8-14(15)16/h3-6H,2,7-11H2,1H3.
What are the key properties of 2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one?
2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one has a molecular weight of 233.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one is sourced from PubChem (CID 162631433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).