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

C13H18ClN3O3 — CID 119781434

IUPAC3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2.Cl
InChIInChI=1S/C13H17N3O3.ClH/c1-8(14)5-12(17)15-9-3-4-11-10(6-9)16(2)13(18)7-19-11;/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,17);1H
InChIKeyYXAGPMHCCZYFNP-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.14
Rot. Bonds3

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

3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride (PubChem CID 119781434) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
PubChem CID119781434
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2.Cl
InChIInChI=1S/C13H17N3O3.ClH/c1-8(14)5-12(17)15-9-3-4-11-10(6-9)16(2)13(18)7-19-11;/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,17);1H
InChIKeyYXAGPMHCCZYFNP-UHFFFAOYSA-N
XLogP1.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 115179617
4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 82501321
2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride
CID 119322353
(2S)-2-amino-3,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781420
2-(2-aminoethylsulfanyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 84553125
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119781418
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide
CID 115153965
2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778138
6-(2,3-diaminopropylamino)-4-methyl-1,4-benzoxazin-3-one
CID 115119417
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride (CID 119781434) is 3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride is CC(N)CC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2.Cl.
What is the InChIKey of 3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride?
The InChIKey is YXAGPMHCCZYFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3.ClH/c1-8(14)5-12(17)15-9-3-4-11-10(6-9)16(2)13(18)7-19-11;/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,17);1H.
What are the key properties of 3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride?
3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride has a molecular weight of 299.76 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride is sourced from PubChem (CID 119781434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).