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

C21H25ClN2O2 — CID 113119612

IUPAC3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCCc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-17(25)24(16-19-9-11-20(22)12-10-19)15-13-21(26)23-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,23,26)
InChIKeyXBIWWRYGDVCDPR-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.83
Rot. Bonds9

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

3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide (PubChem CID 113119612) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide
PubChem CID113119612
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCCc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-17(25)24(16-19-9-11-20(22)12-10-19)15-13-21(26)23-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,23,26)
InChIKeyXBIWWRYGDVCDPR-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113119608
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-butylpropanamide
CID 113121920
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
CID 113120960
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113118224
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide
CID 113119864
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
CID 113122843

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide (CID 113119612) is 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide is CC(=O)N(CCC(=O)NCCCc1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide?
The InChIKey is XBIWWRYGDVCDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-17(25)24(16-19-9-11-20(22)12-10-19)15-13-21(26)23-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,23,26).
What are the key properties of 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide?
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide has a molecular weight of 372.90 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 113119612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).