1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one

C18H19NO2 — CID 114336787

IUPAC1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCOc1ccc(CN2CCCC(=O)c3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-21-15-10-8-14(9-11-15)13-19-12-4-7-18(20)16-5-2-3-6-17(16)19/h2-3,5-6,8-11H,4,7,12-13H2,1H3
InChIKeyWUAFPMOMYMSFDZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.68
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one

1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 114336787) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID114336787
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCOc1ccc(CN2CCCC(=O)c3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-21-15-10-8-14(9-11-15)13-19-12-4-7-18(20)16-5-2-3-6-17(16)19/h2-3,5-6,8-11H,4,7,12-13H2,1H3
InChIKeyWUAFPMOMYMSFDZ-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-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 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one (CID 114336787) is 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one is COc1ccc(CN2CCCC(=O)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is WUAFPMOMYMSFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-15-10-8-14(9-11-15)13-19-12-4-7-18(20)16-5-2-3-6-17(16)19/h2-3,5-6,8-11H,4,7,12-13H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one?
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 281.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 114336787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).