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

C12H16ClN3O3 — CID 154915922

IUPAC2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
SMILESCC1Oc2ccc(NC(=O)CN)cc2N(C)C1=O.Cl
InChIInChI=1S/C12H15N3O3.ClH/c1-7-12(17)15(2)9-5-8(14-11(16)6-13)3-4-10(9)18-7;/h3-5,7H,6,13H2,1-2H3,(H,14,16);1H
InChIKeyIBGHNZBKUFPVFN-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.75
Rot. Bonds2

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

2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride (PubChem CID 154915922) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
PubChem CID154915922
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
SMILESCC1Oc2ccc(NC(=O)CN)cc2N(C)C1=O.Cl
InChIInChI=1S/C12H15N3O3.ClH/c1-7-12(17)15(2)9-5-8(14-11(16)6-13)3-4-10(9)18-7;/h3-5,7H,6,13H2,1-2H3,(H,14,16);1H
InChIKeyIBGHNZBKUFPVFN-UHFFFAOYSA-N
XLogP0.75
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778210
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 131895985
3-(benzenesulfonyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 131889206
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
CID 110778200
2-(aminomethyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 154915006
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 131950599
1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide
CID 131904163
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131891075
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
1-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3-(2-methylsulfonylethyl)urea
CID 126450495
2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 131908860

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride (CID 154915922) is 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride is CC1Oc2ccc(NC(=O)CN)cc2N(C)C1=O.Cl.
What is the InChIKey of 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride?
The InChIKey is IBGHNZBKUFPVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.ClH/c1-7-12(17)15(2)9-5-8(14-11(16)6-13)3-4-10(9)18-7;/h3-5,7H,6,13H2,1-2H3,(H,14,16);1H.
What are the key properties of 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride?
2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride has a molecular weight of 285.73 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride is sourced from PubChem (CID 154915922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).