2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide

C18H24N2O4 — CID 3155043

IUPAC2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCC1Oc2ccc(C)cc2N(CC(=O)NCC2CCCO2)C1=O
InChIInChI=1S/C18H24N2O4/c1-3-15-18(22)20(14-9-12(2)6-7-16(14)24-15)11-17(21)19-10-13-5-4-8-23-13/h6-7,9,13,15H,3-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyOQYAXRRBIWGQQD-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.79
Rot. Bonds5

About 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3155043) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3155043
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCC1Oc2ccc(C)cc2N(CC(=O)NCC2CCCO2)C1=O
InChIInChI=1S/C18H24N2O4/c1-3-15-18(22)20(14-9-12(2)6-7-16(14)24-15)11-17(21)19-10-13-5-4-8-23-13/h6-7,9,13,15H,3-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyOQYAXRRBIWGQQD-UHFFFAOYSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7236802
2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 6542601
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 6544541
N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3556629
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3225047
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7672128
2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167863
N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3267583
2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 82025146
2,4,6-trimethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-benzoxazine-2-carboxamide
CID 75768641
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 46276063

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 3155043) is 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is CCC1Oc2ccc(C)cc2N(CC(=O)NCC2CCCO2)C1=O.
What is the InChIKey of 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OQYAXRRBIWGQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-15-18(22)20(14-9-12(2)6-7-16(14)24-15)11-17(21)19-10-13-5-4-8-23-13/h6-7,9,13,15H,3-5,8,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3155043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).