4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one

C13H18N2O2 — CID 116990998

IUPAC4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one
SMILESCNC(C)(C)C1Oc2ccccc2N(C)C1=O
InChIInChI=1S/C13H18N2O2/c1-13(2,14-3)11-12(16)15(4)9-7-5-6-8-10(9)17-11/h5-8,11,14H,1-4H3
InChIKeyBNVIKBBONZCFRU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.41
Rot. Bonds2

About 4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one

4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one (PubChem CID 116990998) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one
PubChem CID116990998
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one
SMILESCNC(C)(C)C1Oc2ccccc2N(C)C1=O
InChIInChI=1S/C13H18N2O2/c1-13(2,14-3)11-12(16)15(4)9-7-5-6-8-10(9)17-11/h5-8,11,14H,1-4H3
InChIKeyBNVIKBBONZCFRU-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
CID 110404866
2-acetyl-4-methyl-1,4-benzoxazin-3-one
CID 116991012
2-(3-amino-3-methylbutyl)-4-methyl-1,4-benzoxazin-3-one
CID 116990965
2-(3-aminocyclobutyl)-4-methyl-1,4-benzoxazin-3-one
CID 116990987
2-(4-hydroxycyclohexyl)-4-methyl-1,4-benzoxazin-3-one
CID 116991022
2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 116991050
ethyl 4-methyl-3-oxo-1,4-benzoxazine-2-carboxylate
CID 10657388
2-(3-aminophenyl)-4-methyl-1,4-benzoxazin-3-one
CID 116990980
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide
CID 110404497
3-[(2S)-4-methyl-3-oxo-1,4-benzoxazin-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170167760
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide
CID 110404491
2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
CID 61387963

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one (CID 116990998) is 4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one is CNC(C)(C)C1Oc2ccccc2N(C)C1=O.
What is the InChIKey of 4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one?
The InChIKey is BNVIKBBONZCFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,14-3)11-12(16)15(4)9-7-5-6-8-10(9)17-11/h5-8,11,14H,1-4H3.
What are the key properties of 4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one?
4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one has a molecular weight of 234.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(methylamino)propan-2-yl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 116990998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).