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

C19H20N2O3 — CID 40947113

IUPAC3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2
InChIInChI=1S/C19H20N2O3/c1-12(2)10-18(22)20-13-8-9-16-14(11-13)19(23)21(3)15-6-4-5-7-17(15)24-16/h4-9,11-12H,10H2,1-3H3,(H,20,22)
InChIKeyIQZWPZGSJBVICR-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.05
Rot. Bonds3

About 3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide

3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide (PubChem CID 40947113) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
PubChem CID40947113
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2
InChIInChI=1S/C19H20N2O3/c1-12(2)10-18(22)20-13-8-9-16-14(11-13)19(23)21(3)15-6-4-5-7-17(15)24-16/h4-9,11-12H,10H2,1-3H3,(H,20,22)
InChIKeyIQZWPZGSJBVICR-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 20933384
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-[4-[(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)sulfamoyl]phenyl]butanamide
CID 40889009
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
2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947309
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide
CID 40947814
N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-methylbutanamide
CID 40947609
[5-(2-methoxyethyl)-6-oxobenzo[b][1,4]benzoxazepin-8-yl]carbamic acid
CID 174190215
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-1,2-oxazole-4-carboxamide
CID 18571314

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide?
The IUPAC name of 3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide (CID 40947113) is 3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide?
The canonical SMILES for 3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide is CC(C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2.
What is the InChIKey of 3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide?
The InChIKey is IQZWPZGSJBVICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(2)10-18(22)20-13-8-9-16-14(11-13)19(23)21(3)15-6-4-5-7-17(15)24-16/h4-9,11-12H,10H2,1-3H3,(H,20,22).
What are the key properties of 3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide?
3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide has a molecular weight of 324.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide is sourced from PubChem (CID 40947113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).