2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide

C15H20N2O3 — CID 15994004

IUPAC2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H20N2O3/c1-15(2,3)10-5-6-12-11(7-10)17(8-13(18)16-4)14(19)9-20-12/h5-7H,8-9H2,1-4H3,(H,16,18)
InChIKeyRRKGYJLUGOKIEI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.46
Rot. Bonds2

About 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide

2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide (PubChem CID 15994004) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
PubChem CID15994004
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H20N2O3/c1-15(2,3)10-5-6-12-11(7-10)17(8-13(18)16-4)14(19)9-20-12/h5-7H,8-9H2,1-4H3,(H,16,18)
InChIKeyRRKGYJLUGOKIEI-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylpropyl)acetamide
CID 42787928
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide
CID 3411032
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(3R)-oxan-3-yl]acetamide
CID 51497838
N-[3-(azepan-1-ium-1-yl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3660975
N-[3-(azepan-1-yl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3660976
2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 62987008
N-(4-tert-butylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8779827
N-methyl-2-[3-oxo-6-(1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide
CID 39086431
6-tert-butyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 42787930
4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide
CID 42787942
2-(7-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 51046883
2-(7-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethylphenyl)acetamide
CID 51046889

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide?
The IUPAC name of 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide (CID 15994004) is 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide.
What is the SMILES notation for 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide?
The canonical SMILES for 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide is CNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide?
The InChIKey is RRKGYJLUGOKIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)10-5-6-12-11(7-10)17(8-13(18)16-4)14(19)9-20-12/h5-7H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide?
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide has a molecular weight of 276.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide is sourced from PubChem (CID 15994004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).