4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide

C13H17N3O3 — CID 82501321

IUPAC4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
SMILESCN1C(=O)COc2ccc(NC(=O)CCCN)cc21
InChIInChI=1S/C13H17N3O3/c1-16-10-7-9(15-12(17)3-2-6-14)4-5-11(10)19-8-13(16)18/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,17)
InChIKeyUOTZPDQMCKIDJY-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.72
Rot. Bonds4

About 4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide

4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide (PubChem CID 82501321) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
PubChem CID82501321
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
SMILESCN1C(=O)COc2ccc(NC(=O)CCCN)cc21
InChIInChI=1S/C13H17N3O3/c1-16-10-7-9(15-12(17)3-2-6-14)4-5-11(10)19-8-13(16)18/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,17)
InChIKeyUOTZPDQMCKIDJY-UHFFFAOYSA-N
XLogP0.72
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
2-(2-aminoethylsulfanyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 84553125
3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781434
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 110778123
2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 115179617
2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778138
(2S)-2-amino-3,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781420
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445
2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride
CID 119322353
6-(2,3-diaminopropylamino)-4-methyl-1,4-benzoxazin-3-one
CID 115119417
N-(3-chloro-4-methylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770464

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide?
The IUPAC name of 4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide (CID 82501321) is 4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide.
What is the SMILES notation for 4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide?
The canonical SMILES for 4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide is CN1C(=O)COc2ccc(NC(=O)CCCN)cc21.
What is the InChIKey of 4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide?
The InChIKey is UOTZPDQMCKIDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16-10-7-9(15-12(17)3-2-6-14)4-5-11(10)19-8-13(16)18/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide?
4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide has a molecular weight of 263.30 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide is sourced from PubChem (CID 82501321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).