2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide

C22H27NO5 — CID 55894242

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCc1ccc(OCC(C)C)cc1
InChIInChI=1S/C22H27NO5/c1-15(2)13-27-19-8-5-17(6-9-19)12-23-22(25)14-28-20-10-7-18(16(3)24)11-21(20)26-4/h5-11,15H,12-14H2,1-4H3,(H,23,25)
InChIKeyUVMKCNWOZNVWCT-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.63
Rot. Bonds10

About 2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide (PubChem CID 55894242) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
PubChem CID55894242
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCc1ccc(OCC(C)C)cc1
InChIInChI=1S/C22H27NO5/c1-15(2)13-27-19-8-5-17(6-9-19)12-23-22(25)14-28-20-10-7-18(16(3)24)11-21(20)26-4/h5-11,15H,12-14H2,1-4H3,(H,23,25)
InChIKeyUVMKCNWOZNVWCT-UHFFFAOYSA-N
XLogP3.63
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8808315
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 55588022
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2709028
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8535353
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8735468
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
4-[[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 134039174
2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
CID 24708758
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 2568679
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide (CID 55894242) is 2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NCc1ccc(OCC(C)C)cc1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide?
The InChIKey is UVMKCNWOZNVWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-15(2)13-27-19-8-5-17(6-9-19)12-23-22(25)14-28-20-10-7-18(16(3)24)11-21(20)26-4/h5-11,15H,12-14H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 3.63, 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-(2-methylpropoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 55894242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).