5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide

C19H18N2O2 — CID 144935975

IUPAC5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide
SMILESCCC(NC(=O)c1cc2cc(C=O)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-2-16(14-6-4-3-5-7-14)21-19(23)18-11-15-10-13(12-22)8-9-17(15)20-18/h3-12,16,20H,2H2,1H3,(H,21,23)
InChIKeyATLYVWGYIRBYTA-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.86
Rot. Bonds5

About 5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide

5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide (PubChem CID 144935975) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide
PubChem CID144935975
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide
SMILESCCC(NC(=O)c1cc2cc(C=O)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-2-16(14-6-4-3-5-7-14)21-19(23)18-11-15-10-13(12-22)8-9-17(15)20-18/h3-12,16,20H,2H2,1H3,(H,21,23)
InChIKeyATLYVWGYIRBYTA-UHFFFAOYSA-N
XLogP3.86
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide (CID 144935975) is 5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide is CCC(NC(=O)c1cc2cc(C=O)ccc2[nH]1)c1ccccc1.
What is the InChIKey of 5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide?
The InChIKey is ATLYVWGYIRBYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-2-16(14-6-4-3-5-7-14)21-19(23)18-11-15-10-13(12-22)8-9-17(15)20-18/h3-12,16,20H,2H2,1H3,(H,21,23).
What are the key properties of 5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide?
5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-(1-phenylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 144935975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).