N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide

C19H20N2O4 — CID 40947814

IUPACN-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2
InChIInChI=1S/C19H20N2O4/c1-4-24-11-18(22)20-13-6-8-16-14(10-13)19(23)21(3)15-9-12(2)5-7-17(15)25-16/h5-10H,4,11H2,1-3H3,(H,20,22)
InChIKeyFHLXEBVFGSMQLF-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.35
Rot. Bonds4

About N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide

N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide (PubChem CID 40947814) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide
PubChem CID40947814
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2
InChIInChI=1S/C19H20N2O4/c1-4-24-11-18(22)20-13-6-8-16-14(10-13)19(23)21(3)15-9-12(2)5-7-17(15)25-16/h5-10H,4,11H2,1-3H3,(H,20,22)
InChIKeyFHLXEBVFGSMQLF-UHFFFAOYSA-N
XLogP3.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947309
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 20933384
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-dimethoxybenzamide
CID 40947820
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-(trifluoromethyl)benzamide
CID 40947791
1-bromo-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)methanesulfonamide
CID 40889392
3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 40947113
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-methylbenzenesulfonamide
CID 16809487
4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide
CID 46394437
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 40889368
2-(3,4-dimethoxyphenyl)-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947176
5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide
CID 75272976
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,5-difluorobenzenesulfonamide
CID 40889359

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide?
The IUPAC name of N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide (CID 40947814) is N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide.
What is the SMILES notation for N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide?
The canonical SMILES for N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide is CCOCC(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2.
What is the InChIKey of N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide?
The InChIKey is FHLXEBVFGSMQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-24-11-18(22)20-13-6-8-16-14(10-13)19(23)21(3)15-9-12(2)5-7-17(15)25-16/h5-10H,4,11H2,1-3H3,(H,20,22).
What are the key properties of N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide?
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide has a molecular weight of 340.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide is sourced from PubChem (CID 40947814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).