N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide

C18H18N2O3 — CID 20933384

IUPACN-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2
InChIInChI=1S/C18H18N2O3/c1-3-6-17(21)19-12-9-10-15-13(11-12)18(22)20(2)14-7-4-5-8-16(14)23-15/h4-5,7-11H,3,6H2,1-2H3,(H,19,21)
InChIKeyWOXHOCDZUJSBHS-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.81
Rot. Bonds3

About N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide

N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide (PubChem CID 20933384) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide.

Molecular Properties

Compound NameN-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
PubChem CID20933384
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2
InChIInChI=1S/C18H18N2O3/c1-3-6-17(21)19-12-9-10-15-13(11-12)18(22)20(2)14-7-4-5-8-16(14)23-15/h4-5,7-11H,3,6H2,1-2H3,(H,19,21)
InChIKeyWOXHOCDZUJSBHS-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)sulfamoyl]phenyl]butanamide
CID 40889009
3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 40947113
3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide
CID 20933383
2-(3,4-dimethoxyphenyl)-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947176
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)adamantane-1-carboxamide
CID 18571312
[2-[(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)carbamoyl]phenyl] acetate
CID 40947157
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-nitrobenzamide
CID 40947161
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide
CID 40947814
2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947309
4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide
CID 46394437
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide
CID 46394434
[5-(2-methoxyethyl)-6-oxobenzo[b][1,4]benzoxazepin-8-yl]carbamic acid
CID 174190215

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide?
The IUPAC name of N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide (CID 20933384) is N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide.
What is the SMILES notation for N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide?
The canonical SMILES for N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide is CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2.
What is the InChIKey of N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide?
The InChIKey is WOXHOCDZUJSBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-6-17(21)19-12-9-10-15-13(11-12)18(22)20(2)14-7-4-5-8-16(14)23-15/h4-5,7-11H,3,6H2,1-2H3,(H,19,21).
What are the key properties of N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide?
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide has a molecular weight of 310.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide is sourced from PubChem (CID 20933384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).