2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone

C22H26N2O2 — CID 647770

IUPAC2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
SMILESO=C(CN1CCOCC1)N1CCc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C22H26N2O2/c25-22(17-23-12-14-26-15-13-23)24-11-10-19-8-4-5-9-20(19)21(16-24)18-6-2-1-3-7-18/h1-9,21H,10-17H2
InChIKeyQJFFTXPMXOFWLV-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.54
Rot. Bonds3

About 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone

2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone (PubChem CID 647770) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
PubChem CID647770
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
SMILESO=C(CN1CCOCC1)N1CCc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C22H26N2O2/c25-22(17-23-12-14-26-15-13-23)24-11-10-19-8-4-5-9-20(19)21(16-24)18-6-2-1-3-7-18/h1-9,21H,10-17H2
InChIKeyQJFFTXPMXOFWLV-UHFFFAOYSA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone 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-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone?
The IUPAC name of 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone (CID 647770) is 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone is O=C(CN1CCOCC1)N1CCc2ccccc2C(c2ccccc2)C1.
What is the InChIKey of 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone?
The InChIKey is QJFFTXPMXOFWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(17-23-12-14-26-15-13-23)24-11-10-19-8-4-5-9-20(19)21(16-24)18-6-2-1-3-7-18/h1-9,21H,10-17H2.
What are the key properties of 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone?
2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone has a molecular weight of 350.46 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone is sourced from PubChem (CID 647770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).