3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide

C14H18N2O3 — CID 110713199

IUPAC3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1cccc2c1NC(=O)CO2
InChIInChI=1S/C14H18N2O3/c1-14(2,3)7-11(17)15-9-5-4-6-10-13(9)16-12(18)8-19-10/h4-6H,7-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYUFMVUVECRVUMN-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.39
Rot. Bonds2

About 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide

3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide (PubChem CID 110713199) 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-5-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide
PubChem CID110713199
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1cccc2c1NC(=O)CO2
InChIInChI=1S/C14H18N2O3/c1-14(2,3)7-11(17)15-9-5-4-6-10-13(9)16-12(18)8-19-10/h4-6H,7-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYUFMVUVECRVUMN-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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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide (CID 110713199) is 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide is CC(C)(C)CC(=O)Nc1cccc2c1NC(=O)CO2.
What is the InChIKey of 3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide?
The InChIKey is YUFMVUVECRVUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,3)7-11(17)15-9-5-4-6-10-13(9)16-12(18)8-19-10/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-5-yl)butanamide?
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-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-5-yl)butanamide is sourced from PubChem (CID 110713199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).