4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide

C22H33N3O4 — CID 3223073

IUPAC4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)C(C)(C)O2
InChIInChI=1S/C22H33N3O4/c1-9-21(5,6)24-18(27)14-10-11-16-15(12-14)25(19(28)22(7,8)29-16)13-17(26)23-20(2,3)4/h10-12H,9,13H2,1-8H3,(H,23,26)(H,24,27)
InChIKeyILFMFXNOCITJFG-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.02
Rot. Bonds5

About 4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide

4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 3223073) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID3223073
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)C(C)(C)O2
InChIInChI=1S/C22H33N3O4/c1-9-21(5,6)24-18(27)14-10-11-16-15(12-14)25(19(28)22(7,8)29-16)13-17(26)23-20(2,3)4/h10-12H,9,13H2,1-8H3,(H,23,26)(H,24,27)
InChIKeyILFMFXNOCITJFG-UHFFFAOYSA-N
XLogP3.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide with MolForge

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Related Compounds

4-(cyanomethyl)-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3223070
4-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3223093
4-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3223102
N-tert-butyl-4-[2-(4-ethoxyanilino)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3222890
N-tert-butyl-4-[2-(3-chloroanilino)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3222872
N-tert-butyl-4-[2-(2-ethoxyanilino)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3222891
N-tert-butyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3871133
2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-butylacetamide
CID 28816413
N-cyclopentyl-2,2-dimethyl-4-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 1442238
4-(2-anilino-2-oxoethyl)-N-(2,6-dimethylphenyl)-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3222935
2,2-dimethyl-3-oxo-4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
CID 3223056
N-cyclopropyl-4-[2-(2-fluoroanilino)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3222999

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide (CID 3223073) is 4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide is CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)C(C)(C)O2.
What is the InChIKey of 4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is ILFMFXNOCITJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-9-21(5,6)24-18(27)14-10-11-16-15(12-14)25(19(28)22(7,8)29-16)13-17(26)23-20(2,3)4/h10-12H,9,13H2,1-8H3,(H,23,26)(H,24,27).
What are the key properties of 4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide?
4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)-2-oxoethyl]-2,2-dimethyl-N-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 3223073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).