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

C14H20ClN3O3 — CID 119322353

IUPAC2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-3-4-10(15)14(19)16-9-5-6-12-11(7-9)17(2)13(18)8-20-12;/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,19);1H
InChIKeyQKNQUZIOVCLUTB-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.53
Rot. Bonds4

About 2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride

2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride (PubChem CID 119322353) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride
PubChem CID119322353
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-3-4-10(15)14(19)16-9-5-6-12-11(7-9)17(2)13(18)8-20-12;/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,19);1H
InChIKeyQKNQUZIOVCLUTB-UHFFFAOYSA-N
XLogP1.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.53
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
(2S)-2-amino-3,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781420
3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781434
2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 61250377
2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride
CID 119279078
4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 82501321
6-(2,3-diaminopropylamino)-4-methyl-1,4-benzoxazin-3-one
CID 115119417
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)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
CID 51971211
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoacetamide
CID 51049026

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride (CID 119322353) is 2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2.Cl.
What is the InChIKey of 2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride?
The InChIKey is QKNQUZIOVCLUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-3-4-10(15)14(19)16-9-5-6-12-11(7-9)17(2)13(18)8-20-12;/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,19);1H.
What are the key properties of 2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride?
2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119322353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).