2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide

C20H25NO3 — CID 132651176

IUPAC2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccccc1OCC(C)NC(=O)COc1cccc(C)c1C
InChIInChI=1S/C20H25NO3/c1-14-9-7-11-19(17(14)4)24-13-20(22)21-16(3)12-23-18-10-6-5-8-15(18)2/h5-11,16H,12-13H2,1-4H3,(H,21,22)
InChIKeyCADADDGMJVZKRL-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.57
Rot. Bonds7

About 2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide

2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide (PubChem CID 132651176) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
PubChem CID132651176
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccccc1OCC(C)NC(=O)COc1cccc(C)c1C
InChIInChI=1S/C20H25NO3/c1-14-9-7-11-19(17(14)4)24-13-20(22)21-16(3)12-23-18-10-6-5-8-15(18)2/h5-11,16H,12-13H2,1-4H3,(H,21,22)
InChIKeyCADADDGMJVZKRL-UHFFFAOYSA-N
XLogP3.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 132652265
2-(2-fluorophenoxy)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 94623553
N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-(3,5-dimethoxyphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132654122
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid
CID 82845745
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoate
CID 9156871
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 94623535
2-(2,3-dimethylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 132650068

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide (CID 132651176) is 2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide is Cc1ccccc1OCC(C)NC(=O)COc1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is CADADDGMJVZKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-9-7-11-19(17(14)4)24-13-20(22)21-16(3)12-23-18-10-6-5-8-15(18)2/h5-11,16H,12-13H2,1-4H3,(H,21,22).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 132651176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).