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

C22H28N2O3 — CID 113121353

IUPAC3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1cccc(CCN(CCC(=O)NCc2cccc(C)c2)C(C)=O)c1
InChIInChI=1S/C22H28N2O3/c1-17-6-4-8-20(14-17)16-23-22(26)11-13-24(18(2)25)12-10-19-7-5-9-21(15-19)27-3/h4-9,14-15H,10-13,16H2,1-3H3,(H,23,26)
InChIKeyCJMDNZDFRKPDDB-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.10
Rot. Bonds9

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

3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 113121353) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide
PubChem CID113121353
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1cccc(CCN(CCC(=O)NCc2cccc(C)c2)C(C)=O)c1
InChIInChI=1S/C22H28N2O3/c1-17-6-4-8-20(14-17)16-23-22(26)11-13-24(18(2)25)12-10-19-7-5-9-21(15-19)27-3/h4-9,14-15H,10-13,16H2,1-3H3,(H,23,26)
InChIKeyCJMDNZDFRKPDDB-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113121361
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113121357
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide
CID 113055892
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 113121338
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
methyl 2-[3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]propanoylamino]benzoate
CID 113121431
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide
CID 113121447
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-methyl-N-phenylpropanamide
CID 113121389
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164708
3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113128722
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113055919

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide (CID 113121353) is 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide is COc1cccc(CCN(CCC(=O)NCc2cccc(C)c2)C(C)=O)c1.
What is the InChIKey of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is CJMDNZDFRKPDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17-6-4-8-20(14-17)16-23-22(26)11-13-24(18(2)25)12-10-19-7-5-9-21(15-19)27-3/h4-9,14-15H,10-13,16H2,1-3H3,(H,23,26).
What are the key properties of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide?
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113121353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).