2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide

C15H20N2O3 — CID 75768632

IUPAC2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide
SMILESCCCNC(=O)C1(C)Oc2ccc(C)cc2N(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-5-8-16-13(18)15(3)14(19)17(4)11-9-10(2)6-7-12(11)20-15/h6-7,9H,5,8H2,1-4H3,(H,16,18)
InChIKeyXJEYBYAIMCCIDV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.64
Rot. Bonds3

About 2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide

2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide (PubChem CID 75768632) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide
PubChem CID75768632
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide
SMILESCCCNC(=O)C1(C)Oc2ccc(C)cc2N(C)C1=O
InChIInChI=1S/C15H20N2O3/c1-5-8-16-13(18)15(3)14(19)17(4)11-9-10(2)6-7-12(11)20-15/h6-7,9H,5,8H2,1-4H3,(H,16,18)
InChIKeyXJEYBYAIMCCIDV-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768732
N-(3,4-dimethylphenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768603
N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768727
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
2,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769904
2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one
CID 75768674
2,4,6-trimethyl-2-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 75768668
N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769555
2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide
CID 75768621
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 2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide (CID 75768632) is 2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide is CCCNC(=O)C1(C)Oc2ccc(C)cc2N(C)C1=O.
What is the InChIKey of 2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide?
The InChIKey is XJEYBYAIMCCIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-8-16-13(18)15(3)14(19)17(4)11-9-10(2)6-7-12(11)20-15/h6-7,9H,5,8H2,1-4H3,(H,16,18).
What are the key properties of 2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide?
2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75768632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).