N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

C13H16N2O3 — CID 66716761

IUPACN-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCNC(=O)CCc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C13H16N2O3/c1-8-13(17)15-10-7-9(3-5-11(10)18-8)4-6-12(16)14-2/h3,5,7-8H,4,6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIJSWJTCQKHNVEE-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.08
Rot. Bonds3

About N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 66716761) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID66716761
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCNC(=O)CCc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C13H16N2O3/c1-8-13(17)15-10-7-9(3-5-11(10)18-8)4-6-12(16)14-2/h3,5,7-8H,4,6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIJSWJTCQKHNVEE-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 66716761) is N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is CNC(=O)CCc1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is IJSWJTCQKHNVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-13(17)15-10-7-9(3-5-11(10)18-8)4-6-12(16)14-2/h3,5,7-8H,4,6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 248.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 66716761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).