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

C19H20N2O2 — CID 773625

IUPACN-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2
InChIInChI=1S/C19H20N2O2/c1-3-19(23)20-16-11-10-15-9-8-14-6-4-5-7-17(14)21(13(2)22)18(15)12-16/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,23)
InChIKeyWGKOQOBKVXZARO-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.82
Rot. Bonds2

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

N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide (PubChem CID 773625) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide.

Molecular Properties

Compound NameN-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide
PubChem CID773625
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2
InChIInChI=1S/C19H20N2O2/c1-3-19(23)20-16-11-10-15-9-8-14-6-4-5-7-17(14)21(13(2)22)18(15)12-16/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,23)
InChIKeyWGKOQOBKVXZARO-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide?
The IUPAC name of N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide (CID 773625) is N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide.
What is the SMILES notation for N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide?
The canonical SMILES for N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide is CCC(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2.
What is the InChIKey of N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide?
The InChIKey is WGKOQOBKVXZARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-19(23)20-16-11-10-15-9-8-14-6-4-5-7-17(14)21(13(2)22)18(15)12-16/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,23).
What are the key properties of N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide?
N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)propanamide is sourced from PubChem (CID 773625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).