2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide

C25H27NO3 — CID 46456585

IUPAC2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(COCc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C25H27NO3/c1-19-8-13-24(20(2)14-19)29-18-25(27)26-15-21-9-11-23(12-10-21)17-28-16-22-6-4-3-5-7-22/h3-14H,15-18H2,1-2H3,(H,26,27)
InChIKeyZXTXWKWSFDDVJX-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.72
Rot. Bonds9

About 2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide

2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide (PubChem CID 46456585) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
PubChem CID46456585
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(COCc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C25H27NO3/c1-19-8-13-24(20(2)14-19)29-18-25(27)26-15-21-9-11-23(12-10-21)17-28-16-22-6-4-3-5-7-22/h3-14H,15-18H2,1-2H3,(H,26,27)
InChIKeyZXTXWKWSFDDVJX-UHFFFAOYSA-N
XLogP4.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325172
3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide
CID 46475227
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 48501810
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814070
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
2-(2-methylphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464858
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide
CID 17499817
2-phenylethyl 4-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 4946919
2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide
CID 39939589
2-(2,4-dimethylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4500297

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide (CID 46456585) is 2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide is Cc1ccc(OCC(=O)NCc2ccc(COCc3ccccc3)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is ZXTXWKWSFDDVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-19-8-13-24(20(2)14-19)29-18-25(27)26-15-21-9-11-23(12-10-21)17-28-16-22-6-4-3-5-7-22/h3-14H,15-18H2,1-2H3,(H,26,27).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide?
2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 46456585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).