4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide

C17H22N2O5 — CID 42786133

IUPAC4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCN1C(=O)COc2ccc(C(C)=O)cc21
InChIInChI=1S/C17H22N2O5/c1-12(20)13-5-6-15-14(10-13)19(17(22)11-24-15)8-3-4-16(21)18-7-9-23-2/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,18,21)
InChIKeyUOFZZGMCFRBMPA-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.16
Rot. Bonds8

About 4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide

4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide (PubChem CID 42786133) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide
PubChem CID42786133
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCN1C(=O)COc2ccc(C(C)=O)cc21
InChIInChI=1S/C17H22N2O5/c1-12(20)13-5-6-15-14(10-13)19(17(22)11-24-15)8-3-4-16(21)18-7-9-23-2/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,18,21)
InChIKeyUOFZZGMCFRBMPA-UHFFFAOYSA-N
XLogP1.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)butanamide
CID 42786144
N-(2-methoxyethyl)-4-[3-oxo-6-[2-(2,4,6-trimethylphenoxy)acetyl]-1,4-benzoxazin-4-yl]butanamide
CID 46035435
4-[6-[2-(2,5-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-methoxyethyl)butanamide
CID 42846928
3-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-aminoethyl)propanamide
CID 39162227
4-[6-[2-(2-chloro-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(2-methoxyethyl)butanamide
CID 46035319
4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-fluorophenyl)methyl]butanamide
CID 3250619
N-(3-methoxypropyl)-4-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]butanamide
CID 46035285
4-[[2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]butanoic acid
CID 82033065
4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 3542714
N-butyl-4-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide
CID 42846860
4-benzyl-N-(2-methoxyethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023793
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 4104320

Frequently Asked Questions

What is the IUPAC name of 4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide?
The IUPAC name of 4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide (CID 42786133) is 4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for 4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide?
The canonical SMILES for 4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide is COCCNC(=O)CCCN1C(=O)COc2ccc(C(C)=O)cc21.
What is the InChIKey of 4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide?
The InChIKey is UOFZZGMCFRBMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-12(20)13-5-6-15-14(10-13)19(17(22)11-24-15)8-3-4-16(21)18-7-9-23-2/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,18,21).
What are the key properties of 4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide?
4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide has a molecular weight of 334.37 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 42786133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).