N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide

C21H26N2O3 — CID 9437503

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C21H26N2O3/c1-15-8-5-6-11-18(15)26-13-12-20(25)23(4)14-19(24)22-21-16(2)9-7-10-17(21)3/h5-11H,12-14H2,1-4H3,(H,22,24)
InChIKeyMSELTMZTDXYHJI-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.48
Rot. Bonds7

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide (PubChem CID 9437503) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
PubChem CID9437503
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C21H26N2O3/c1-15-8-5-6-11-18(15)26-13-12-20(25)23(4)14-19(24)22-21-16(2)9-7-10-17(21)3/h5-11H,12-14H2,1-4H3,(H,22,24)
InChIKeyMSELTMZTDXYHJI-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 31930851
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)-N-methylpropanamide
CID 9114741
N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide
CID 27535607
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513
N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9437519
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302921
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 9222182
N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55628358
2-[[2-(2,3-dimethylphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752558
N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 26619662
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide (CID 9437503) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide is Cc1ccccc1OCCC(=O)N(C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide?
The InChIKey is MSELTMZTDXYHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-8-5-6-11-18(15)26-13-12-20(25)23(4)14-19(24)22-21-16(2)9-7-10-17(21)3/h5-11H,12-14H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 9437503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).