2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide

C26H27NO5 — CID 27891131

IUPAC2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H27NO5/c1-4-27(17-19-10-15-23(30-2)24(16-19)31-3)25(28)18-32-22-13-11-21(12-14-22)26(29)20-8-6-5-7-9-20/h5-16H,4,17-18H2,1-3H3
InChIKeyZBPXLRMGIAYVHE-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.36
Rot. Bonds10

About 2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide

2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide (PubChem CID 27891131) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
PubChem CID27891131
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H27NO5/c1-4-27(17-19-10-15-23(30-2)24(16-19)31-3)25(28)18-32-22-13-11-21(12-14-22)26(29)20-8-6-5-7-9-20/h5-16H,4,17-18H2,1-3H3
InChIKeyZBPXLRMGIAYVHE-UHFFFAOYSA-N
XLogP4.36
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018288
2-[4-(cyanomethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55401705
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 78808317
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 27876771
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-methylbenzoate
CID 9290533
2-(2,5-dichlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55398454
methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate
CID 7965611
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
2-(4-bromo-2-fluorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 28546890

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide (CID 27891131) is 2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide?
The InChIKey is ZBPXLRMGIAYVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-4-27(17-19-10-15-23(30-2)24(16-19)31-3)25(28)18-32-22-13-11-21(12-14-22)26(29)20-8-6-5-7-9-20/h5-16H,4,17-18H2,1-3H3.
What are the key properties of 2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide?
2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide has a molecular weight of 433.50 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide is sourced from PubChem (CID 27891131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).