3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide

C23H30N2O4 — CID 113122393

IUPAC3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(OCCN(CCC(=O)Nc2ccc(C(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C23H30N2O4/c1-17(2)19-5-7-20(8-6-19)24-23(27)13-14-25(18(3)26)15-16-29-22-11-9-21(28-4)10-12-22/h5-12,17H,13-16H2,1-4H3,(H,24,27)
InChIKeyIJDUWTNXQTWKIN-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.07
Rot. Bonds10

About 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide

3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 113122393) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID113122393
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(OCCN(CCC(=O)Nc2ccc(C(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C23H30N2O4/c1-17(2)19-5-7-20(8-6-19)24-23(27)13-14-25(18(3)26)15-16-29-22-11-9-21(28-4)10-12-22/h5-12,17H,13-16H2,1-4H3,(H,24,27)
InChIKeyIJDUWTNXQTWKIN-UHFFFAOYSA-N
XLogP4.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.07
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-(4-methoxyphenyl)acetamide
CID 113166031
3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113115841
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113122386
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide
CID 113122371
2-(N-acetyl-4-methoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113173591
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119947
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide
CID 113117576

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide (CID 113122393) is 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide is COc1ccc(OCCN(CCC(=O)Nc2ccc(C(C)C)cc2)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is IJDUWTNXQTWKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-17(2)19-5-7-20(8-6-19)24-23(27)13-14-25(18(3)26)15-16-29-22-11-9-21(28-4)10-12-22/h5-12,17H,13-16H2,1-4H3,(H,24,27).
What are the key properties of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide?
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 398.50 g/mol, XLogP of 4.07, 10 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-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113122393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).