3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide

C24H28N2O2 — CID 22627332

IUPAC3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide
SMILESCCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cc2n1C(C)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-5-9-20-22(23(27)15(2)3)19-13-12-18(24(25)28)14-21(19)26(20)16(4)17-10-7-6-8-11-17/h6-8,10-16H,5,9H2,1-4H3,(H2,25,28)
InChIKeyRLOZVPOIZWFROW-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.14
Rot. Bonds7

About 3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide

3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide (PubChem CID 22627332) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide
PubChem CID22627332
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide
SMILESCCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cc2n1C(C)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-5-9-20-22(23(27)15(2)3)19-13-12-18(24(25)28)14-21(19)26(20)16(4)17-10-7-6-8-11-17/h6-8,10-16H,5,9H2,1-4H3,(H2,25,28)
InChIKeyRLOZVPOIZWFROW-UHFFFAOYSA-N
XLogP5.14
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide?
The IUPAC name of 3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide (CID 22627332) is 3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide.
What is the SMILES notation for 3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide?
The canonical SMILES for 3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide is CCCc1c(C(=O)C(C)C)c2ccc(C(N)=O)cc2n1C(C)c1ccccc1.
What is the InChIKey of 3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide?
The InChIKey is RLOZVPOIZWFROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-5-9-20-22(23(27)15(2)3)19-13-12-18(24(25)28)14-21(19)26(20)16(4)17-10-7-6-8-11-17/h6-8,10-16H,5,9H2,1-4H3,(H2,25,28).
What are the key properties of 3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide?
3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoyl)-1-(1-phenylethyl)-2-propylindole-6-carboxamide is sourced from PubChem (CID 22627332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).