3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide

C20H23N3O — CID 9118951

IUPAC3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide
SMILESCN(C)c1cccc(C(=O)NCCCn2ccc3ccccc32)c1
InChIInChI=1S/C20H23N3O/c1-22(2)18-9-5-8-17(15-18)20(24)21-12-6-13-23-14-11-16-7-3-4-10-19(16)23/h3-5,7-11,14-15H,6,12-13H2,1-2H3,(H,21,24)
InChIKeyPLFUFSKQWGHIBI-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.53
Rot. Bonds6

About 3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide

3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide (PubChem CID 9118951) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide
PubChem CID9118951
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide
SMILESCN(C)c1cccc(C(=O)NCCCn2ccc3ccccc32)c1
InChIInChI=1S/C20H23N3O/c1-22(2)18-9-5-8-17(15-18)20(24)21-12-6-13-23-14-11-16-7-3-4-10-19(16)23/h3-5,7-11,14-15H,6,12-13H2,1-2H3,(H,21,24)
InChIKeyPLFUFSKQWGHIBI-UHFFFAOYSA-N
XLogP3.53
TPSA37.27 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 ≤ 53.53
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 3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide (CID 9118951) is 3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide is CN(C)c1cccc(C(=O)NCCCn2ccc3ccccc32)c1.
What is the InChIKey of 3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide?
The InChIKey is PLFUFSKQWGHIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-22(2)18-9-5-8-17(15-18)20(24)21-12-6-13-23-14-11-16-7-3-4-10-19(16)23/h3-5,7-11,14-15H,6,12-13H2,1-2H3,(H,21,24).
What are the key properties of 3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide?
3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide has a molecular weight of 321.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(3-indol-1-ylpropyl)benzamide is sourced from PubChem (CID 9118951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).