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

C14H18N2O3 — CID 24654705

IUPAC3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H18N2O3/c1-14(2,3)7-12(17)15-9-4-5-11-10(6-9)16-13(18)8-19-11/h4-6H,7-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyGUENEPRAPVEUQD-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.39
Rot. Bonds2

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

3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (PubChem CID 24654705) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
PubChem CID24654705
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H18N2O3/c1-14(2,3)7-12(17)15-9-4-5-11-10(6-9)16-13(18)8-19-11/h4-6H,7-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyGUENEPRAPVEUQD-UHFFFAOYSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110205820
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052
N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318
4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 81087224
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957972
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 29357799
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 51153500
N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 110390284
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51175989
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (CID 24654705) is 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is CC(C)(C)CC(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The InChIKey is GUENEPRAPVEUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,3)7-12(17)15-9-4-5-11-10(6-9)16-13(18)8-19-11/h4-6H,7-8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide has a molecular weight of 262.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is sourced from PubChem (CID 24654705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).