3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide

C22H28N2O2 — CID 113122219

IUPAC3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H28N2O2/c1-18-10-12-21(13-11-18)17-23-22(26)14-16-24(19(2)25)15-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13H,6,9,14-17H2,1-2H3,(H,23,26)
InChIKeyFJLTWESCVMGDLN-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.48
Rot. Bonds9

About 3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide

3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 113122219) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID113122219
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H28N2O2/c1-18-10-12-21(13-11-18)17-23-22(26)14-16-24(19(2)25)15-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13H,6,9,14-17H2,1-2H3,(H,23,26)
InChIKeyFJLTWESCVMGDLN-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113122215
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
3-[acetyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113120764
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide
CID 113122262
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113122328
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120931
3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113122292

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide (CID 113122219) is 3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide is CC(=O)N(CCCc1ccccc1)CCC(=O)NCc1ccc(C)cc1.
What is the InChIKey of 3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is FJLTWESCVMGDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18-10-12-21(13-11-18)17-23-22(26)14-16-24(19(2)25)15-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13H,6,9,14-17H2,1-2H3,(H,23,26).
What are the key properties of 3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide?
3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113122219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).