2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one

C18H24N2O4 — CID 75768674

IUPAC2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)N1CC(C)OC(C)C1)O2
InChIInChI=1S/C18H24N2O4/c1-11-6-7-15-14(8-11)19(5)16(21)18(4,24-15)17(22)20-9-12(2)23-13(3)10-20/h6-8,12-13H,9-10H2,1-5H3
InChIKeyXZRMVIBTZZBEGA-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.74
Rot. Bonds1

About 2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one

2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one (PubChem CID 75768674) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one
PubChem CID75768674
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)N1CC(C)OC(C)C1)O2
InChIInChI=1S/C18H24N2O4/c1-11-6-7-15-14(8-11)19(5)16(21)18(4,24-15)17(22)20-9-12(2)23-13(3)10-20/h6-8,12-13H,9-10H2,1-5H3
InChIKeyXZRMVIBTZZBEGA-UHFFFAOYSA-N
XLogP1.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trimethyl-2-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 75768668
2-(4-benzylpiperidine-1-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one
CID 75768670
2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide
CID 75768632
N-(3,4-dimethylphenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768603
2,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769904
2,4,6-trimethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-benzoxazine-2-carboxamide
CID 75768641
N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769516
N-(3-fluorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768599
N-(3-carbamoyl-1,5-dimethylpyrazol-4-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769563
N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768732
N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768727
methyl 1,3-dimethyl-4-[(2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carbonyl)amino]pyrazole-5-carboxylate
CID 75769565

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one (CID 75768674) is 2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one is Cc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)N1CC(C)OC(C)C1)O2.
What is the InChIKey of 2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one?
The InChIKey is XZRMVIBTZZBEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-6-7-15-14(8-11)19(5)16(21)18(4,24-15)17(22)20-9-12(2)23-13(3)10-20/h6-8,12-13H,9-10H2,1-5H3.
What are the key properties of 2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one?
2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one has a molecular weight of 332.40 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 75768674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).