2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide

C20H23N3O — CID 3342931

IUPAC2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide
SMILESCc1nn(C(C)C(=O)NCCCc2ccccc2)c2ccccc12
InChIInChI=1S/C20H23N3O/c1-15-18-12-6-7-13-19(18)23(22-15)16(2)20(24)21-14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,16H,8,11,14H2,1-2H3,(H,21,24)
InChIKeyZPIXADOZCFTRSD-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.65
Rot. Bonds6

About 2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide

2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide (PubChem CID 3342931) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide
PubChem CID3342931
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide
SMILESCc1nn(C(C)C(=O)NCCCc2ccccc2)c2ccccc12
InChIInChI=1S/C20H23N3O/c1-15-18-12-6-7-13-19(18)23(22-15)16(2)20(24)21-14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,16H,8,11,14H2,1-2H3,(H,21,24)
InChIKeyZPIXADOZCFTRSD-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide (CID 3342931) is 2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide is Cc1nn(C(C)C(=O)NCCCc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide?
The InChIKey is ZPIXADOZCFTRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-18-12-6-7-13-19(18)23(22-15)16(2)20(24)21-14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,16H,8,11,14H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide?
2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylindazol-1-yl)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 3342931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).