3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide

C21H26N2O3 — CID 113118224

IUPAC3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCN(Cc1ccccc1)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-17(24)23(16-18-8-4-3-5-9-18)15-13-21(25)22-14-12-19-10-6-7-11-20(19)26-2/h3-11H,12-16H2,1-2H3,(H,22,25)
InChIKeySAPZXKMVCMYVCE-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.79
Rot. Bonds9

About 3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide

3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 113118224) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
PubChem CID113118224
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCN(Cc1ccccc1)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-17(24)23(16-18-8-4-3-5-9-18)15-13-21(25)22-14-12-19-10-6-7-11-20(19)26-2/h3-11H,12-16H2,1-2H3,(H,22,25)
InChIKeySAPZXKMVCMYVCE-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113123377
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113165813
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113119269
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide
CID 113055835
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 113121259
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113126674
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113124333
2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18131526
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403
3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
CID 113139567
3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113135055

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide (CID 113118224) is 3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1CCNC(=O)CCN(Cc1ccccc1)C(C)=O.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is SAPZXKMVCMYVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-17(24)23(16-18-8-4-3-5-9-18)15-13-21(25)22-14-12-19-10-6-7-11-20(19)26-2/h3-11H,12-16H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide?
3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 113118224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).