N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide

C28H30N4O2 — CID 123870903

IUPACN-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide
SMILESCC(=O)Nc1ccc(N2c3ccc(NC(=O)c4ccc(N(C)C)cc4)cc3C=CCC2C)cc1
InChIInChI=1S/C28H30N4O2/c1-19-6-5-7-22-18-24(30-28(34)21-8-13-25(14-9-21)31(3)4)12-17-27(22)32(19)26-15-10-23(11-16-26)29-20(2)33/h5,7-19H,6H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyKCTHPKHQABTMIH-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.91
Rot. Bonds5

About N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide

N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide (PubChem CID 123870903) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide
PubChem CID123870903
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC NameN-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide
SMILESCC(=O)Nc1ccc(N2c3ccc(NC(=O)c4ccc(N(C)C)cc4)cc3C=CCC2C)cc1
InChIInChI=1S/C28H30N4O2/c1-19-6-5-7-22-18-24(30-28(34)21-8-13-25(14-9-21)31(3)4)12-17-27(22)32(19)26-15-10-23(11-16-26)29-20(2)33/h5,7-19H,6H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyKCTHPKHQABTMIH-UHFFFAOYSA-N
XLogP5.91
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide 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 N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide (CID 123870903) is N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide is CC(=O)Nc1ccc(N2c3ccc(NC(=O)c4ccc(N(C)C)cc4)cc3C=CCC2C)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide?
The InChIKey is KCTHPKHQABTMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-19-6-5-7-22-18-24(30-28(34)21-8-13-25(14-9-21)31(3)4)12-17-27(22)32(19)26-15-10-23(11-16-26)29-20(2)33/h5,7-19H,6H2,1-4H3,(H,29,33)(H,30,34).
What are the key properties of N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide?
N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide has a molecular weight of 454.57 g/mol, XLogP of 5.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)-2-methyl-2,3-dihydro-1-benzazepin-7-yl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 123870903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).