2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide

C18H25N3O — CID 4134503

IUPAC2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESCn1cc(CC(=O)NCCCN2CCCC2)c2ccccc21
InChIInChI=1S/C18H25N3O/c1-20-14-15(16-7-2-3-8-17(16)20)13-18(22)19-9-6-12-21-10-4-5-11-21/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,22)
InChIKeyCNANDDIGDUABJF-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.32
Rot. Bonds6

About 2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide

2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 4134503) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID4134503
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESCn1cc(CC(=O)NCCCN2CCCC2)c2ccccc21
InChIInChI=1S/C18H25N3O/c1-20-14-15(16-7-2-3-8-17(16)20)13-18(22)19-9-6-12-21-10-4-5-11-21/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,22)
InChIKeyCNANDDIGDUABJF-UHFFFAOYSA-N
XLogP2.32
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.32
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-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide (CID 4134503) is 2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide is Cn1cc(CC(=O)NCCCN2CCCC2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is CNANDDIGDUABJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20-14-15(16-7-2-3-8-17(16)20)13-18(22)19-9-6-12-21-10-4-5-11-21/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,22).
What are the key properties of 2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 299.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 4134503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).