N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide

C21H26N2O3 — CID 39277767

IUPACN-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)COc1c(C)cc(C)cc1C
InChIInChI=1S/C21H26N2O3/c1-14-10-15(2)21(16(3)11-14)26-13-20(25)22-19-9-7-6-8-18(19)12-23(5)17(4)24/h6-11H,12-13H2,1-5H3,(H,22,25)
InChIKeyDWMSXEAXTISDPE-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.61
Rot. Bonds6

About N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 39277767) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID39277767
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)COc1c(C)cc(C)cc1C
InChIInChI=1S/C21H26N2O3/c1-14-10-15(2)21(16(3)11-14)26-13-20(25)22-19-9-7-6-8-18(19)12-23(5)17(4)24/h6-11H,12-13H2,1-5H3,(H,22,25)
InChIKeyDWMSXEAXTISDPE-UHFFFAOYSA-N
XLogP3.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997857
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60867454
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide
CID 38324139
N-[4-(dimethylamino)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978164
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 18146366
N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 112789802
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide
CID 79199579
N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide
CID 62832902
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
2-(2-chloro-4,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 23790866
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997830

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide (CID 39277767) is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide is CC(=O)N(C)Cc1ccccc1NC(=O)COc1c(C)cc(C)cc1C.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is DWMSXEAXTISDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-10-15(2)21(16(3)11-14)26-13-20(25)22-19-9-7-6-8-18(19)12-23(5)17(4)24/h6-11H,12-13H2,1-5H3,(H,22,25).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide?
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 39277767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).