N,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide

C13H17N3O3 — CID 115169260

IUPACN,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide
SMILESCNCc1ccc2c(c1)N(C(=O)NC)C(=O)C(C)O2
InChIInChI=1S/C13H17N3O3/c1-8-12(17)16(13(18)15-3)10-6-9(7-14-2)4-5-11(10)19-8/h4-6,8,14H,7H2,1-3H3,(H,15,18)
InChIKeyKUIMJDLHSMEYHF-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.86
Rot. Bonds2

About N,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide

N,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide (PubChem CID 115169260) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide
PubChem CID115169260
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide
SMILESCNCc1ccc2c(c1)N(C(=O)NC)C(=O)C(C)O2
InChIInChI=1S/C13H17N3O3/c1-8-12(17)16(13(18)15-3)10-6-9(7-14-2)4-5-11(10)19-8/h4-6,8,14H,7H2,1-3H3,(H,15,18)
InChIKeyKUIMJDLHSMEYHF-UHFFFAOYSA-N
XLogP0.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-2-methyl-6-(methylaminomethyl)-1,4-benzoxazin-3-one
CID 115191171
4-(aminomethyl)-2-methyl-6-(methylaminomethyl)-1,4-benzoxazin-3-one
CID 115225913
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]acetamide
CID 110783694
2,4-dimethyl-6-[(propan-2-ylamino)methyl]-1,4-benzoxazin-3-one
CID 82480298
6-(aminomethyl)-4-(2-hydroxypropanoyl)-2-methyl-1,4-benzoxazin-3-one
CID 115140687
2-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methylamino]acetic acid
CID 82501420
2-[6-(hydroxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-methylacetamide
CID 82338293
4-(2-aminoacetyl)-2-methyl-6-(methylamino)-1,4-benzoxazin-3-one
CID 115151571
4-(2-aminopropanoyl)-2-methyl-6-(methylamino)-1,4-benzoxazin-3-one
CID 115152308
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-thiophen-2-ylacetamide
CID 110783721
methyl 2-[6-(aminomethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 82338889
2-[6-(hydroxymethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 82338257

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide?
The IUPAC name of N,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide (CID 115169260) is N,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide is CNCc1ccc2c(c1)N(C(=O)NC)C(=O)C(C)O2.
What is the InChIKey of N,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide?
The InChIKey is KUIMJDLHSMEYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-12(17)16(13(18)15-3)10-6-9(7-14-2)4-5-11(10)19-8/h4-6,8,14H,7H2,1-3H3,(H,15,18).
What are the key properties of N,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide?
N,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-(methylaminomethyl)-3-oxo-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 115169260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).