4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide

C20H23NO6 — CID 49017115

IUPAC4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO6/c1-24-15-7-5-13(6-8-15)16(22)9-10-19(23)21-14-11-17(25-2)20(27-4)18(12-14)26-3/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)
InChIKeyLJFCMILVIREZSL-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.32
Rot. Bonds9

About 4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide

4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide (PubChem CID 49017115) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide
PubChem CID49017115
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO6/c1-24-15-7-5-13(6-8-15)16(22)9-10-19(23)21-14-11-17(25-2)20(27-4)18(12-14)26-3/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)
InChIKeyLJFCMILVIREZSL-UHFFFAOYSA-N
XLogP3.32
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate
CID 2495618
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
3-(2-methyl-1,3-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 110679342
4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143693
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 119438264
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
2-(5-methoxyindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29133435

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide?
The IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide (CID 49017115) is 4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide is COc1ccc(C(=O)CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide?
The InChIKey is LJFCMILVIREZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-24-15-7-5-13(6-8-15)16(22)9-10-19(23)21-14-11-17(25-2)20(27-4)18(12-14)26-3/h5-8,11-12H,9-10H2,1-4H3,(H,21,23).
What are the key properties of 4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide?
4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide has a molecular weight of 373.41 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide is sourced from PubChem (CID 49017115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).