3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide

C20H24N2O2 — CID 109030863

IUPAC3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide
SMILESCC(=O)c1cccc(NCCC(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-16(23)18-10-5-11-19(15-18)21-14-12-20(24)22-13-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,15,21H,6,9,12-14H2,1H3,(H,22,24)
InChIKeyFKLYYBGLNHRZJM-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.44
Rot. Bonds9

About 3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide

3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide (PubChem CID 109030863) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide
PubChem CID109030863
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide
SMILESCC(=O)c1cccc(NCCC(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-16(23)18-10-5-11-19(15-18)21-14-12-20(24)22-13-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,15,21H,6,9,12-14H2,1H3,(H,22,24)
InChIKeyFKLYYBGLNHRZJM-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 109033251
N-[3-(3-phenylpropylamino)phenyl]acetamide
CID 3022474
N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024328
3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027780
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
methyl 3-[[3-oxo-3-(3-phenylpropylamino)propanoyl]amino]benzoate
CID 108951245
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
3-(2-phenylethylamino)benzoic acid
CID 43139401
3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
CID 109024184

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide (CID 109030863) is 3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide is CC(=O)c1cccc(NCCC(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide?
The InChIKey is FKLYYBGLNHRZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16(23)18-10-5-11-19(15-18)21-14-12-20(24)22-13-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,15,21H,6,9,12-14H2,1H3,(H,22,24).
What are the key properties of 3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide?
3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide has a molecular weight of 324.42 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 109030863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).