[2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate

C25H23NO6 — CID 30688450

IUPAC[2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H23NO6/c1-30-22-13-8-17(14-23(22)31-2)15-24(28)32-16-21(27)18-9-11-20(12-10-18)26-25(29)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyCMPQLNUCNWHZHH-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.92
Rot. Bonds9

About [2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate

[2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 30688450) has the molecular formula C25H23NO6 and a molecular weight of 433.46 g/mol. Its IUPAC name is [2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
PubChem CID30688450
Molecular FormulaC25H23NO6
Molecular Weight433.46 g/mol
Exact Mass433.15
IUPAC Name[2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H23NO6/c1-30-22-13-8-17(14-23(22)31-2)15-24(28)32-16-21(27)18-9-11-20(12-10-18)26-25(29)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyCMPQLNUCNWHZHH-UHFFFAOYSA-N
XLogP3.92
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766635
phenacyl 2-(3-bromo-4-methoxyphenyl)acetate
CID 19132535
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671559
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766423
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968961
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7604330
[4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616393
[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate
CID 7489555
[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 101165003
N-[4-(benzamidocarbamoyl)phenyl]-2-(3-chloro-4-methoxyphenyl)acetamide
CID 71656387

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate (CID 30688450) is [2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1OC.
What is the InChIKey of [2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is CMPQLNUCNWHZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO6/c1-30-22-13-8-17(14-23(22)31-2)15-24(28)32-16-21(27)18-9-11-20(12-10-18)26-25(29)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,26,29).
What are the key properties of [2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
[2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 433.46 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzamidophenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 30688450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).