3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide

C22H28N2O4 — CID 113122386

IUPAC3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide
SMILESCOc1ccc(OCCN(CCC(=O)Nc2c(C)cccc2C)C(C)=O)cc1
InChIInChI=1S/C22H28N2O4/c1-16-6-5-7-17(2)22(16)23-21(26)12-13-24(18(3)25)14-15-28-20-10-8-19(27-4)9-11-20/h5-11H,12-15H2,1-4H3,(H,23,26)
InChIKeyLQJSZQFKUMMZIW-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.57
Rot. Bonds9

About 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide

3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide (PubChem CID 113122386) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide
PubChem CID113122386
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide
SMILESCOc1ccc(OCCN(CCC(=O)Nc2c(C)cccc2C)C(C)=O)cc1
InChIInChI=1S/C22H28N2O4/c1-16-6-5-7-17(2)22(16)23-21(26)12-13-24(18(3)25)14-15-28-20-10-8-19(27-4)9-11-20/h5-11H,12-15H2,1-4H3,(H,23,26)
InChIKeyLQJSZQFKUMMZIW-UHFFFAOYSA-N
XLogP3.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide
CID 113122339
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
CID 113166015
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113122393
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide
CID 113122371
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113166031
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089301
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113122366
3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113114987
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2-ethylphenyl)acetamide
CID 113166008
N-(2,6-dimethylphenyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]acetamide
CID 26904107
N-(2,6-dimethylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795911

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide (CID 113122386) is 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide is COc1ccc(OCCN(CCC(=O)Nc2c(C)cccc2C)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is LQJSZQFKUMMZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16-6-5-7-17(2)22(16)23-21(26)12-13-24(18(3)25)14-15-28-20-10-8-19(27-4)9-11-20/h5-11H,12-15H2,1-4H3,(H,23,26).
What are the key properties of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide?
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 113122386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).