2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride

C20H26ClN3O — CID 2834199

IUPAC2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-3-23(4-2)14-20(24)21-17-12-11-16-10-9-15-7-5-6-8-18(15)22-19(16)13-17;/h5-8,11-13,22H,3-4,9-10,14H2,1-2H3,(H,21,24);1H
InChIKeyIKIZYJLQVZFGOJ-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.23
Rot. Bonds5

About 2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride

2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride (PubChem CID 2834199) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride
PubChem CID2834199
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-3-23(4-2)14-20(24)21-17-12-11-16-10-9-15-7-5-6-8-18(15)22-19(16)13-17;/h5-8,11-13,22H,3-4,9-10,14H2,1-2H3,(H,21,24);1H
InChIKeyIKIZYJLQVZFGOJ-UHFFFAOYSA-N
XLogP4.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride 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

Desipramine Hydrochloride
CID 65327
Mesocaine
CID 2843496
Denatonium
CID 15488
Tiracizine
CID 71264
Pincainide
CID 71267
Tiracizine hydrochloride
CID 107750
Ethanone, 1-(3-amino-10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)-, hydrochloride (1:1)
CID 2876206
N,N'-DI(O-Tolyl)oxamide
CID 223396
Carbamic acid, (5-(aminoacetyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester
CID 798455
ethyl (5-(diethylglycyl)-10,11-dihydro-5H-dibenzo(b,f)azepin-3-yl)carbamate
CID 969470
4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2862158
ethoxy-N-[5-(2-piperidylacetyl)(10H,11H-dibenzo[b,f]azepin-3-yl)]carboxamide
CID 1129891

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride (CID 2834199) is 2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride is CCN(CC)CC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2.Cl.
What is the InChIKey of 2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride?
The InChIKey is IKIZYJLQVZFGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.ClH/c1-3-23(4-2)14-20(24)21-17-12-11-16-10-9-15-7-5-6-8-18(15)22-19(16)13-17;/h5-8,11-13,22H,3-4,9-10,14H2,1-2H3,(H,21,24);1H.
What are the key properties of 2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride?
2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 2834199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).