2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide

C21H26N2O3 — CID 113164557

IUPAC2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
SMILESCOc1ccccc1CCN(CC(=O)Nc1cc(C)ccc1C)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-15-9-10-16(2)19(13-15)22-21(25)14-23(17(3)24)12-11-18-7-5-6-8-20(18)26-4/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyOYVZOEITEXIFDG-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.34
Rot. Bonds7

About 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 113164557) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
PubChem CID113164557
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
SMILESCOc1ccccc1CCN(CC(=O)Nc1cc(C)ccc1C)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-15-9-10-16(2)19(13-15)22-21(25)14-23(17(3)24)12-11-18-7-5-6-8-20(18)26-4/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyOYVZOEITEXIFDG-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 113164550
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162936
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164552
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113121303
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164592
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113164583
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113164597
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113164628
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113160861
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113164495
2-[acetyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113164038
N'-(2,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7541746

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide (CID 113164557) is 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide is COc1ccccc1CCN(CC(=O)Nc1cc(C)ccc1C)C(C)=O.
What is the InChIKey of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is OYVZOEITEXIFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-9-10-16(2)19(13-15)22-21(25)14-23(17(3)24)12-11-18-7-5-6-8-20(18)26-4/h5-10,13H,11-12,14H2,1-4H3,(H,22,25).
What are the key properties of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide?
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 113164557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).