N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide

C21H24N2O — CID 24554706

IUPACN-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCn2ccc3ccccc32)cc1
InChIInChI=1S/C21H24N2O/c1-17-7-9-18(10-8-17)11-12-21(24)22-14-4-15-23-16-13-19-5-2-3-6-20(19)23/h2-3,5-10,13,16H,4,11-12,14-15H2,1H3,(H,22,24)
InChIKeyHQHYJLBFUIBHRN-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.09
Rot. Bonds7

About N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide

N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide (PubChem CID 24554706) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
PubChem CID24554706
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCn2ccc3ccccc32)cc1
InChIInChI=1S/C21H24N2O/c1-17-7-9-18(10-8-17)11-12-21(24)22-14-4-15-23-16-13-19-5-2-3-6-20(19)23/h2-3,5-10,13,16H,4,11-12,14-15H2,1H3,(H,22,24)
InChIKeyHQHYJLBFUIBHRN-UHFFFAOYSA-N
XLogP4.09
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.09
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

N-(3-indol-1-ylpropyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 55436838
3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide
CID 90556350
3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114637
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide
CID 55349212
N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698
N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide
CID 51165309
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
N-(3-indol-1-ylpropyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55378394
N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide
CID 18118692
2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336
2-(3-fluoro-4-methoxyphenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 17482901

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide (CID 24554706) is N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCCn2ccc3ccccc32)cc1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide?
The InChIKey is HQHYJLBFUIBHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-17-7-9-18(10-8-17)11-12-21(24)22-14-4-15-23-16-13-19-5-2-3-6-20(19)23/h2-3,5-10,13,16H,4,11-12,14-15H2,1H3,(H,22,24).
What are the key properties of N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide?
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide has a molecular weight of 320.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 24554706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).