2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide

C22H28N2O3 — CID 25161575

IUPAC2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)COc1c(C)cccc1C
InChIInChI=1S/C22H28N2O3/c1-5-13-24(14-20(25)23-19-12-7-6-9-16(19)2)21(26)15-27-22-17(3)10-8-11-18(22)4/h6-12H,5,13-15H2,1-4H3,(H,23,25)
InChIKeyZRCREFSFTRADQK-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.87
Rot. Bonds8

About 2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide

2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 25161575) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID25161575
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)COc1c(C)cccc1C
InChIInChI=1S/C22H28N2O3/c1-5-13-24(14-20(25)23-19-12-7-6-9-16(19)2)21(26)15-27-22-17(3)10-8-11-18(22)4/h6-12H,5,13-15H2,1-4H3,(H,23,25)
InChIKeyZRCREFSFTRADQK-UHFFFAOYSA-N
XLogP3.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide (CID 25161575) is 2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)COc1c(C)cccc1C.
What is the InChIKey of 2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is ZRCREFSFTRADQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-13-24(14-20(25)23-19-12-7-6-9-16(19)2)21(26)15-27-22-17(3)10-8-11-18(22)4/h6-12H,5,13-15H2,1-4H3,(H,23,25).
What are the key properties of 2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide?
2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 25161575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).