1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide

C23H28N2O — CID 86273678

IUPAC1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide
SMILESCCCCCn1cc(C(=O)NC(C)(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H28N2O/c1-4-5-11-16-25-17-20(19-14-9-10-15-21(19)25)22(26)24-23(2,3)18-12-7-6-8-13-18/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,24,26)
InChIKeyRCXFMWJQOYCIQU-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.50
Rot. Bonds7

About 1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide

1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide (PubChem CID 86273678) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide
PubChem CID86273678
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide
SMILESCCCCCn1cc(C(=O)NC(C)(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H28N2O/c1-4-5-11-16-25-17-20(19-14-9-10-15-21(19)25)22(26)24-23(2,3)18-12-7-6-8-13-18/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,24,26)
InChIKeyRCXFMWJQOYCIQU-UHFFFAOYSA-N
XLogP5.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.50
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 1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
The IUPAC name of 1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide (CID 86273678) is 1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide.
What is the SMILES notation for 1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
The canonical SMILES for 1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide is CCCCCn1cc(C(=O)NC(C)(C)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
The InChIKey is RCXFMWJQOYCIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-4-5-11-16-25-17-20(19-14-9-10-15-21(19)25)22(26)24-23(2,3)18-12-7-6-8-13-18/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,24,26).
What are the key properties of 1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide is sourced from PubChem (CID 86273678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).