N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide

C18H20N2O — CID 787497

IUPACN-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H20N2O/c1-13(2)18(21)19-20-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,19,21)
InChIKeyWCNIBGQVBLNZQC-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.61
Rot. Bonds2

About N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide

N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide (PubChem CID 787497) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide
PubChem CID787497
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H20N2O/c1-13(2)18(21)19-20-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,19,21)
InChIKeyWCNIBGQVBLNZQC-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide 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-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide?
The IUPAC name of N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide (CID 787497) is N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide?
The canonical SMILES for N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide is CC(C)C(=O)NN1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide?
The InChIKey is WCNIBGQVBLNZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(2)18(21)19-20-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide?
N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylpropanamide is sourced from PubChem (CID 787497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).