3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide

C21H26N2O3 — CID 113119947

IUPAC3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(Cc2ccc(OC)cc2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-4-17-5-9-19(10-6-17)22-21(25)13-14-23(16(2)24)15-18-7-11-20(26-3)12-8-18/h5-12H,4,13-15H2,1-3H3,(H,22,25)
InChIKeyCSDVGXDUVURIME-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.63
Rot. Bonds8

About 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide

3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide (PubChem CID 113119947) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
PubChem CID113119947
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(Cc2ccc(OC)cc2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-4-17-5-9-19(10-6-17)22-21(25)13-14-23(16(2)24)15-18-7-11-20(26-3)12-8-18/h5-12H,4,13-15H2,1-3H3,(H,22,25)
InChIKeyCSDVGXDUVURIME-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113119958
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)acetamide
CID 113163115
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethylphenyl)propanamide
CID 113119942
3-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113120117
3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113115841
N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide
CID 113119864
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113119982
ethyl 4-[3-[acetyl-[(4-methylphenyl)methyl]amino]propanoylamino]benzoate
CID 113118870
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 113163104
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide (CID 113119947) is 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCN(Cc2ccc(OC)cc2)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide?
The InChIKey is CSDVGXDUVURIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-17-5-9-19(10-6-17)22-21(25)13-14-23(16(2)24)15-18-7-11-20(26-3)12-8-18/h5-12H,4,13-15H2,1-3H3,(H,22,25).
What are the key properties of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide?
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 113119947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).