2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide

C21H24N2O6 — CID 67699861

IUPAC2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide
SMILESCOc1cc(C(=O)CC(C(N)=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C21H24N2O6/c1-12(24)23-15-7-5-13(6-8-15)16(21(22)26)11-17(25)14-9-18(27-2)20(29-4)19(10-14)28-3/h5-10,16H,11H2,1-4H3,(H2,22,26)(H,23,24)
InChIKeyQHLFSFVLMHXUCE-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.51
Rot. Bonds9

About 2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide

2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide (PubChem CID 67699861) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide
PubChem CID67699861
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide
SMILESCOc1cc(C(=O)CC(C(N)=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C21H24N2O6/c1-12(24)23-15-7-5-13(6-8-15)16(21(22)26)11-17(25)14-9-18(27-2)20(29-4)19(10-14)28-3/h5-10,16H,11H2,1-4H3,(H2,22,26)(H,23,24)
InChIKeyQHLFSFVLMHXUCE-UHFFFAOYSA-N
XLogP2.51
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 91676904
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
3-methyl-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 93191215
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 7593667
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride
CID 67699495
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide
CID 175712395
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide
CID 112981526

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide?
The IUPAC name of 2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide (CID 67699861) is 2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide?
The canonical SMILES for 2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide is COc1cc(C(=O)CC(C(N)=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide?
The InChIKey is QHLFSFVLMHXUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-12(24)23-15-7-5-13(6-8-15)16(21(22)26)11-17(25)14-9-18(27-2)20(29-4)19(10-14)28-3/h5-10,16H,11H2,1-4H3,(H2,22,26)(H,23,24).
What are the key properties of 2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide?
2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide has a molecular weight of 400.43 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide is sourced from PubChem (CID 67699861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).