2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide

C26H27NO5 — CID 24979721

IUPAC2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CCN(C)C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C26H27NO5/c1-27(16-15-19-9-14-23(30-2)24(17-19)31-3)25(28)18-32-22-12-10-21(11-13-22)26(29)20-7-5-4-6-8-20/h4-14,17H,15-16,18H2,1-3H3
InChIKeyGCCURGLWBSKABZ-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.01
Rot. Bonds10

About 2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide

2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 24979721) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
PubChem CID24979721
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CCN(C)C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C26H27NO5/c1-27(16-15-19-9-14-23(30-2)24(17-19)31-3)25(28)18-32-22-12-10-21(11-13-22)26(29)20-7-5-4-6-8-20/h4-14,17H,15-16,18H2,1-3H3
InChIKeyGCCURGLWBSKABZ-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 27891131
N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095748
2-(2-acetamidophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7873862
2-(4-benzoylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560002
2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7757349
methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate
CID 7965611
2-[[2-(4-benzoylphenoxy)acetyl]-methylamino]acetamide
CID 56809046
2-[[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]phenoxy]methyl]benzoic acid
CID 10367746
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
CID 9468502
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide (CID 24979721) is 2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide is COc1ccc(CCN(C)C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1OC.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is GCCURGLWBSKABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-27(16-15-19-9-14-23(30-2)24(17-19)31-3)25(28)18-32-22-12-10-21(11-13-22)26(29)20-7-5-4-6-8-20/h4-14,17H,15-16,18H2,1-3H3.
What are the key properties of 2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 433.50 g/mol, XLogP of 4.01, 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-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 24979721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).