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

C17H18N2O — CID 756581

IUPACN-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylacetamide
SMILESCC(=O)N(C)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C17H18N2O/c1-13(20)18(2)19-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)19/h3-10H,11-12H2,1-2H3
InChIKeyCUOFQDKBXWQUKA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.32
Rot. Bonds1

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

N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylacetamide (PubChem CID 756581) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylacetamide
PubChem CID756581
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylacetamide
SMILESCC(=O)N(C)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C17H18N2O/c1-13(20)18(2)19-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)19/h3-10H,11-12H2,1-2H3
InChIKeyCUOFQDKBXWQUKA-UHFFFAOYSA-N
XLogP3.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylacetamide 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)-N-methylacetamide?
The IUPAC name of N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylacetamide (CID 756581) is N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylacetamide.
What is the SMILES notation for N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylacetamide?
The canonical SMILES for N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylacetamide is CC(=O)N(C)N1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylacetamide?
The InChIKey is CUOFQDKBXWQUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(20)18(2)19-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)19/h3-10H,11-12H2,1-2H3.
What are the key properties of N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylacetamide?
N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylacetamide has a molecular weight of 266.34 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 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)-N-methylacetamide is sourced from PubChem (CID 756581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).