N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide

C12H14N2O3 — CID 115191036

IUPACN-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCC(=O)N(C)c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C12H14N2O3/c1-8(15)13(2)9-4-5-11-10(6-9)14(3)12(16)7-17-11/h4-6H,7H2,1-3H3
InChIKeyLWWYKILRTVUUER-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.02
Rot. Bonds1

About N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide

N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (PubChem CID 115191036) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
PubChem CID115191036
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCC(=O)N(C)c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C12H14N2O3/c1-8(15)13(2)9-4-5-11-10(6-9)14(3)12(16)7-17-11/h4-6H,7H2,1-3H3
InChIKeyLWWYKILRTVUUER-UHFFFAOYSA-N
XLogP1.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]-2-oxoacetic acid
CID 115141247
6-[2-chloroethyl(methyl)amino]-4-methyl-1,4-benzoxazin-3-one
CID 115214739
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
6-[3-aminopropyl(methyl)amino]-4-methyl-1,4-benzoxazin-3-one
CID 82499032
N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770440
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871
3-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-propan-2-ylamino]propanoic acid
CID 82310015
6-hydroperoxy-4-methyl-1,4-benzoxazin-3-one
CID 118920596
6-[azetidin-3-ylmethyl(methyl)amino]-4-methyl-1,4-benzoxazin-3-one
CID 115207414
6-(2-hydroxypropan-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 117315574
4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl cyanide
CID 116918990
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanoic acid
CID 82496514

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (CID 115191036) is N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is CC(=O)N(C)c1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is LWWYKILRTVUUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(15)13(2)9-4-5-11-10(6-9)14(3)12(16)7-17-11/h4-6H,7H2,1-3H3.
What are the key properties of N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 234.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 115191036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).