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

C13H17N3O3 — CID 81087224

IUPAC4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCC(CN)CC(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H17N3O3/c1-8(6-14)4-12(17)15-9-2-3-11-10(5-9)16-13(18)7-19-11/h2-3,5,8H,4,6-7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyFZTUGXWLQDOBBB-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.94
Rot. Bonds4

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

4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (PubChem CID 81087224) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
PubChem CID81087224
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCC(CN)CC(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H17N3O3/c1-8(6-14)4-12(17)15-9-2-3-11-10(5-9)16-13(18)7-19-11/h2-3,5,8H,4,6-7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyFZTUGXWLQDOBBB-UHFFFAOYSA-N
XLogP0.94
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
6-(3-amino-2-methylpropyl)-4H-1,4-benzoxazin-3-one
CID 116924741
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
2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 61250377
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957972
N-(3-amino-2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 119998216
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
CID 110770344
N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318
2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 62477125

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (CID 81087224) is 4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is CC(CN)CC(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The InChIKey is FZTUGXWLQDOBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(6-14)4-12(17)15-9-2-3-11-10(5-9)16-13(18)7-19-11/h2-3,5,8H,4,6-7,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide has a molecular weight of 263.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is sourced from PubChem (CID 81087224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).