N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide

C19H22N2O2 — CID 118711259

IUPACN-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1O)C(c1ccccc1)CN(C)CC2
InChIInChI=1S/C19H22N2O2/c1-13(22)20-18-10-15-8-9-21(2)12-17(16(15)11-19(18)23)14-6-4-3-5-7-14/h3-7,10-11,17,23H,8-9,12H2,1-2H3,(H,20,22)
InChIKeyZAWHSSDPGDMUJG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.97
Rot. Bonds2

About N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide

N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide (PubChem CID 118711259) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide.

Molecular Properties

Compound NameN-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide
PubChem CID118711259
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1O)C(c1ccccc1)CN(C)CC2
InChIInChI=1S/C19H22N2O2/c1-13(22)20-18-10-15-8-9-21(2)12-17(16(15)11-19(18)23)14-6-4-3-5-7-14/h3-7,10-11,17,23H,8-9,12H2,1-2H3,(H,20,22)
InChIKeyZAWHSSDPGDMUJG-UHFFFAOYSA-N
XLogP2.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide 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

N-(4-Hydroxybiphenyl-3-yl)acetamide
CID 79419
N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide
CID 155515718
5-[2-(dipropylamino)ethyl]-8-hydroxy-1H-quinolin-2-one
CID 20205476
8-hydroxy-5-[2-[2-(4-hydroxyphenyl)ethyl-propylamino]ethyl]-1H-quinolin-2-one
CID 44296669
8-hydroxy-5-[2-[2-phenylethyl(propyl)amino]ethyl]-1H-quinolin-2-one
CID 44296690
5-Amino-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaen-6-ol
CID 11558247
5-[2-[[1-(4-aminophenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 13897647
8-hydroxy-5-[2-[2-(4-hydroxyphenyl)ethylamino]ethyl]-1H-quinolin-2-one
CID 44296679
8-Amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 118711252
7-Amino-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
CID 118711253
8-(Benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 118711254
8-[(3-Chlorophenyl)methylamino]-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 118711255

Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide?
The IUPAC name of N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide (CID 118711259) is N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide.
What is the SMILES notation for N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide?
The canonical SMILES for N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide is CC(=O)Nc1cc2c(cc1O)C(c1ccccc1)CN(C)CC2.
What is the InChIKey of N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide?
The InChIKey is ZAWHSSDPGDMUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(22)20-18-10-15-8-9-21(2)12-17(16(15)11-19(18)23)14-6-4-3-5-7-14/h3-7,10-11,17,23H,8-9,12H2,1-2H3,(H,20,22).
What are the key properties of N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide?
N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)acetamide is sourced from PubChem (CID 118711259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).