5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone

C26H28N2O2 — CID 162672250

IUPAC5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone
SMILESCN(C)CCCOc1ccc(C(=O)N2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C26H28N2O2/c1-27(2)18-7-19-30-23-16-14-22(15-17-23)26(29)28-24-10-5-3-8-20(24)12-13-21-9-4-6-11-25(21)28/h3-6,8-11,14-17H,7,12-13,18-19H2,1-2H3
InChIKeyNCEJIQKGPVAIRP-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.09
Rot. Bonds6

About 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone

5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone (PubChem CID 162672250) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone.

Molecular Properties

Compound Name5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone
PubChem CID162672250
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone
SMILESCN(C)CCCOc1ccc(C(=O)N2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C26H28N2O2/c1-27(2)18-7-19-30-23-16-14-22(15-17-23)26(29)28-24-10-5-3-8-20(24)12-13-21-9-4-6-11-25(21)28/h3-6,8-11,14-17H,7,12-13,18-19H2,1-2H3
InChIKeyNCEJIQKGPVAIRP-UHFFFAOYSA-N
XLogP5.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroindol-1-yl-(4-heptoxyphenyl)methanone
CID 4950634
[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
CID 19760990
1-[1-[4-[7-(diethylamino)heptoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19030830
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 46531241
2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10362298
1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one
CID 139623169
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide
CID 14969551
(E)-but-2-enedioic acid;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
CID 67276536
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrate;hydrochloride
CID 90158861

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone?
The IUPAC name of 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone (CID 162672250) is 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone.
What is the SMILES notation for 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone?
The canonical SMILES for 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone is CN(C)CCCOc1ccc(C(=O)N2c3ccccc3CCc3ccccc32)cc1.
What is the InChIKey of 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone?
The InChIKey is NCEJIQKGPVAIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-27(2)18-7-19-30-23-16-14-22(15-17-23)26(29)28-24-10-5-3-8-20(24)12-13-21-9-4-6-11-25(21)28/h3-6,8-11,14-17H,7,12-13,18-19H2,1-2H3.
What are the key properties of 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone?
5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone has a molecular weight of 400.52 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[4-[3-(dimethylamino)propoxy]phenyl]methanone is sourced from PubChem (CID 162672250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).