2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

C21H26N2O2 — CID 113162045

IUPAC2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)C(C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-14-11-15(2)21(16(3)12-14)22-20(25)13-23(18(5)24)17(4)19-9-7-6-8-10-19/h6-12,17H,13H2,1-5H3,(H,22,25)
InChIKeyISUYNQCDJLDDJU-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.16
Rot. Bonds5

About 2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 113162045) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID113162045
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)C(C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-14-11-15(2)21(16(3)12-14)22-20(25)13-23(18(5)24)17(4)19-9-7-6-8-10-19/h6-12,17H,13H2,1-5H3,(H,22,25)
InChIKeyISUYNQCDJLDDJU-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(1-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113162035
2-[acetyl(1-phenylethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113162118
2-[acetyl(1-phenylethyl)amino]-N-(3,5-dichlorophenyl)acetamide
CID 113162117
2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
CID 113162054
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710584
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348881
2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113162089
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938
2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55381874
2-[acetyl(1-phenylethyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113162068

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 113162045) is 2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)C(C)c1ccccc1.
What is the InChIKey of 2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is ISUYNQCDJLDDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-11-15(2)21(16(3)12-14)22-20(25)13-23(18(5)24)17(4)19-9-7-6-8-10-19/h6-12,17H,13H2,1-5H3,(H,22,25).
What are the key properties of 2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 113162045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).