2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide

C26H27NO5 — CID 55659284

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide
SMILESCCOc1ccc(C(NC(=O)COc2ccc(C(C)=O)cc2OC)c2ccccc2)cc1
InChIInChI=1S/C26H27NO5/c1-4-31-22-13-10-20(11-14-22)26(19-8-6-5-7-9-19)27-25(29)17-32-23-15-12-21(18(2)28)16-24(23)30-3/h5-16,26H,4,17H2,1-3H3,(H,27,29)
InChIKeyYPSPIWGXNVKMOH-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.58
Rot. Bonds10

About 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide (PubChem CID 55659284) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide
PubChem CID55659284
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide
SMILESCCOc1ccc(C(NC(=O)COc2ccc(C(C)=O)cc2OC)c2ccccc2)cc1
InChIInChI=1S/C26H27NO5/c1-4-31-22-13-10-20(11-14-22)26(19-8-6-5-7-9-19)27-25(29)17-32-23-15-12-21(18(2)28)16-24(23)30-3/h5-16,26H,4,17H2,1-3H3,(H,27,29)
InChIKeyYPSPIWGXNVKMOH-UHFFFAOYSA-N
XLogP4.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide
CID 55643256
2-(3-acetylphenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 78798600
[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8509675
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
CID 51190365
2-(2-ethoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 8798273
3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3938884
2-(4-acetyl-2-methoxyphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8808304
2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8808315
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 27722315
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 7714022
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide (CID 55659284) is 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide is CCOc1ccc(C(NC(=O)COc2ccc(C(C)=O)cc2OC)c2ccccc2)cc1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide?
The InChIKey is YPSPIWGXNVKMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-4-31-22-13-10-20(11-14-22)26(19-8-6-5-7-9-19)27-25(29)17-32-23-15-12-21(18(2)28)16-24(23)30-3/h5-16,26H,4,17H2,1-3H3,(H,27,29).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide has a molecular weight of 433.50 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 55659284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).