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

C18H18N2O2 — CID 743128

IUPACN-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2
InChIInChI=1S/C18H18N2O2/c1-12(21)19-16-10-9-15-8-7-14-5-3-4-6-17(14)20(13(2)22)18(15)11-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)
InChIKeyQYYBHXYKSVYXII-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.43
Rot. Bonds1

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

N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)acetamide (PubChem CID 743128) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)acetamide.

Molecular Properties

Compound NameN-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)acetamide
PubChem CID743128
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2
InChIInChI=1S/C18H18N2O2/c1-12(21)19-16-10-9-15-8-7-14-5-3-4-6-17(14)20(13(2)22)18(15)11-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)
InChIKeyQYYBHXYKSVYXII-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.43
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)acetamide?
The IUPAC name of N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)acetamide (CID 743128) is N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)acetamide.
What is the SMILES notation for N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)acetamide?
The canonical SMILES for N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)acetamide is CC(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2.
What is the InChIKey of N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)acetamide?
The InChIKey is QYYBHXYKSVYXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(21)19-16-10-9-15-8-7-14-5-3-4-6-17(14)20(13(2)22)18(15)11-16/h3-6,9-11H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)acetamide?
N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 3.43, 1 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)acetamide is sourced from PubChem (CID 743128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).