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

C12H16N2O2 — CID 61387963

IUPAC2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
SMILESCNCCN1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C12H16N2O2/c1-9-12(15)14(8-7-13-2)10-5-3-4-6-11(10)16-9/h3-6,9,13H,7-8H2,1-2H3
InChIKeyUJSYADUKIJUTBO-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.02
Rot. Bonds3

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

2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one (PubChem CID 61387963) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
PubChem CID61387963
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
SMILESCNCCN1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C12H16N2O2/c1-9-12(15)14(8-7-13-2)10-5-3-4-6-11(10)16-9/h3-6,9,13H,7-8H2,1-2H3
InChIKeyUJSYADUKIJUTBO-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[2-(propan-2-ylamino)ethyl]-1,4-benzoxazin-3-one
CID 61387986
2-methyl-4-[3-(propan-2-ylamino)propyl]-1,4-benzoxazin-3-one
CID 61387973
2-methyl-4-pentyl-1,4-benzoxazin-3-one
CID 117007341
N-[2-(methylamino)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119502456
4-[3-(cyclopropylamino)propyl]-2-methyl-1,4-benzoxazin-3-one
CID 61387974
4-but-3-ynyl-2-methyl-1,4-benzoxazin-3-one
CID 63657858
4-(5-chloropentyl)-2-methyl-1,4-benzoxazin-3-one
CID 43348370
3-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoic acid
CID 56686997
6-amino-2-methyl-4-[3-(methylamino)propyl]-1,4-benzoxazin-3-one
CID 115197702
[2-(methylamino)-2-oxoethyl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 46649329
N-[2-(methylamino)propyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 120830439
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one (CID 61387963) is 2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one is CNCCN1C(=O)C(C)Oc2ccccc21.
What is the InChIKey of 2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one?
The InChIKey is UJSYADUKIJUTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-12(15)14(8-7-13-2)10-5-3-4-6-11(10)16-9/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one?
2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one has a molecular weight of 220.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 61387963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).