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

C22H32N2O3 — CID 42787942

IUPAC4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide
SMILESCC(C)(C)c1ccc2c(c1)N(CCCC(=O)NC1CCCCC1)C(=O)CO2
InChIInChI=1S/C22H32N2O3/c1-22(2,3)16-11-12-19-18(14-16)24(21(26)15-27-19)13-7-10-20(25)23-17-8-5-4-6-9-17/h11-12,14,17H,4-10,13,15H2,1-3H3,(H,23,25)
InChIKeyIWKHZUTVTFPDOZ-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.94
Rot. Bonds5

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

4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide (PubChem CID 42787942) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide.

Molecular Properties

Compound Name4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide
PubChem CID42787942
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide
SMILESCC(C)(C)c1ccc2c(c1)N(CCCC(=O)NC1CCCCC1)C(=O)CO2
InChIInChI=1S/C22H32N2O3/c1-22(2,3)16-11-12-19-18(14-16)24(21(26)15-27-19)13-7-10-20(25)23-17-8-5-4-6-9-17/h11-12,14,17H,4-10,13,15H2,1-3H3,(H,23,25)
InChIKeyIWKHZUTVTFPDOZ-UHFFFAOYSA-N
XLogP3.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.94
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-[(3R)-oxan-3-yl]acetamide
CID 51497838
N-cyclohexyl-4-[6-[2-(2,5-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide
CID 46035371
N-(1-benzylpiperidin-4-yl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 42788025
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 15994004
N-[3-(azepan-1-yl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3660976
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
CID 23410828
N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 95917193
N-[3-(azepan-1-ium-1-yl)propyl]-2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3660975
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide
CID 3411032
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034995
N-[5-(diethylamino)pentan-2-yl]-4-[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]butanamide
CID 3708750
4-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]-6-tert-butyl-1,4-benzoxazin-3-one
CID 4640170

Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide?
The IUPAC name of 4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide (CID 42787942) is 4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide.
What is the SMILES notation for 4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide?
The canonical SMILES for 4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide is CC(C)(C)c1ccc2c(c1)N(CCCC(=O)NC1CCCCC1)C(=O)CO2.
What is the InChIKey of 4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide?
The InChIKey is IWKHZUTVTFPDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-22(2,3)16-11-12-19-18(14-16)24(21(26)15-27-19)13-7-10-20(25)23-17-8-5-4-6-9-17/h11-12,14,17H,4-10,13,15H2,1-3H3,(H,23,25).
What are the key properties of 4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide?
4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide has a molecular weight of 372.51 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclohexylbutanamide is sourced from PubChem (CID 42787942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).