4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide

C13H14N2O4 — CID 60637259

IUPAC4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
SMILESCC(=O)CCC(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H14N2O4/c1-8(16)2-5-12(17)14-9-3-4-11-10(6-9)15-13(18)7-19-11/h3-4,6H,2,5,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyAIAVQOUHAUOKKB-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.33
Rot. Bonds4

About 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide

4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide (PubChem CID 60637259) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide.

Molecular Properties

Compound Name4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
PubChem CID60637259
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
SMILESCC(=O)CCC(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H14N2O4/c1-8(16)2-5-12(17)14-9-3-4-11-10(6-9)15-13(18)7-19-11/h3-4,6H,2,5,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyAIAVQOUHAUOKKB-UHFFFAOYSA-N
XLogP1.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110205820
N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344982
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052
4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 81087224
4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 29357799
3-(4-chlorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 51153528
3-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 74611213
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
4-oxo-4-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)amino]butanoic acid
CID 98034722
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957972
methyl 4-oxo-4-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)amino]butanoate
CID 110778236

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide?
The IUPAC name of 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide (CID 60637259) is 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide.
What is the SMILES notation for 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide?
The canonical SMILES for 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide is CC(=O)CCC(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide?
The InChIKey is AIAVQOUHAUOKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8(16)2-5-12(17)14-9-3-4-11-10(6-9)15-13(18)7-19-11/h3-4,6H,2,5,7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide?
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide has a molecular weight of 262.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide is sourced from PubChem (CID 60637259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).