3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide

C21H24N2O — CID 6626020

IUPAC3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide
SMILESCn1cc(CCC(=O)NCCCc2ccccc2)c2ccccc21
InChIInChI=1S/C21H24N2O/c1-23-16-18(19-11-5-6-12-20(19)23)13-14-21(24)22-15-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,16H,7,10,13-15H2,1H3,(H,22,24)
InChIKeyGHKOQHNGGSOBNL-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.86
Rot. Bonds7

About 3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide

3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide (PubChem CID 6626020) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide
PubChem CID6626020
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide
SMILESCn1cc(CCC(=O)NCCCc2ccccc2)c2ccccc21
InChIInChI=1S/C21H24N2O/c1-23-16-18(19-11-5-6-12-20(19)23)13-14-21(24)22-15-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,16H,7,10,13-15H2,1H3,(H,22,24)
InChIKeyGHKOQHNGGSOBNL-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide (CID 6626020) is 3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide is Cn1cc(CCC(=O)NCCCc2ccccc2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide?
The InChIKey is GHKOQHNGGSOBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-23-16-18(19-11-5-6-12-20(19)23)13-14-21(24)22-15-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,16H,7,10,13-15H2,1H3,(H,22,24).
What are the key properties of 3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide?
3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide has a molecular weight of 320.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 6626020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).