2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide

C18H22N2O2 — CID 22627205

IUPAC2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide
SMILESCCCC1(C(=O)C2CCCC2)C=c2ccc(C(N)=O)cc2=N1
InChIInChI=1S/C18H22N2O2/c1-2-9-18(16(21)12-5-3-4-6-12)11-14-8-7-13(17(19)22)10-15(14)20-18/h7-8,10-12H,2-6,9H2,1H3,(H2,19,22)
InChIKeyVRFSUGKBEQSXRL-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.50
Rot. Bonds5

About 2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide

2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide (PubChem CID 22627205) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide.

Molecular Properties

Compound Name2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide
PubChem CID22627205
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide
SMILESCCCC1(C(=O)C2CCCC2)C=c2ccc(C(N)=O)cc2=N1
InChIInChI=1S/C18H22N2O2/c1-2-9-18(16(21)12-5-3-4-6-12)11-14-8-7-13(17(19)22)10-15(14)20-18/h7-8,10-12H,2-6,9H2,1H3,(H2,19,22)
InChIKeyVRFSUGKBEQSXRL-UHFFFAOYSA-N
XLogP1.50
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide?
The IUPAC name of 2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide (CID 22627205) is 2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide.
What is the SMILES notation for 2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide?
The canonical SMILES for 2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide is CCCC1(C(=O)C2CCCC2)C=c2ccc(C(N)=O)cc2=N1.
What is the InChIKey of 2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide?
The InChIKey is VRFSUGKBEQSXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-9-18(16(21)12-5-3-4-6-12)11-14-8-7-13(17(19)22)10-15(14)20-18/h7-8,10-12H,2-6,9H2,1H3,(H2,19,22).
What are the key properties of 2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide?
2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentanecarbonyl)-2-propylindole-6-carboxamide is sourced from PubChem (CID 22627205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).