3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide

C18H22N2O — CID 28713423

IUPAC3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
SMILESNc1cccc(CCC(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c19-17-10-4-8-16(14-17)11-12-18(21)20-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,14H,5,9,11-13,19H2,(H,20,21)
InChIKeyCZITUZZMCGAVCJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.95
Rot. Bonds7

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

3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide (PubChem CID 28713423) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
PubChem CID28713423
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
SMILESNc1cccc(CCC(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c19-17-10-4-8-16(14-17)11-12-18(21)20-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,14H,5,9,11-13,19H2,(H,20,21)
InChIKeyCZITUZZMCGAVCJ-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(3-aminophenyl)propanoylamino]hexanoic acid
CID 115341245
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 28713362
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide
CID 82950103
3-(3-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 115341362
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
4-[3-(3-aminophenyl)propanoylamino]-2-methylbutanoic acid
CID 115341605
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006137
3-(3-aminophenyl)-N-(2-methylsulfinylethyl)propanamide
CID 113479619

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide (CID 28713423) is 3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide is Nc1cccc(CCC(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide?
The InChIKey is CZITUZZMCGAVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-17-10-4-8-16(14-17)11-12-18(21)20-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,14H,5,9,11-13,19H2,(H,20,21).
What are the key properties of 3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide?
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide has a molecular weight of 282.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 28713423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).