3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide

C32H36N2O — CID 25109392

IUPAC3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide
SMILESCC(C)c1ccccc1-c1cn(C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C)c2ccccc12
InChIInChI=1S/C32H36N2O/c1-21(2)23-11-7-8-12-24(23)26-20-34(29-14-10-9-13-25(26)29)30(35)33-22-15-16-27-28(19-22)32(5,6)18-17-31(27,3)4/h7-16,19-21H,17-18H2,1-6H3,(H,33,35)
InChIKeyJCCFAUUUNVXEMP-UHFFFAOYSA-N
MW464.65 g/mol
LogP8.86
Rot. Bonds3

About 3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide

3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide (PubChem CID 25109392) has the molecular formula C32H36N2O and a molecular weight of 464.65 g/mol. Its IUPAC name is 3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide.

Molecular Properties

Compound Name3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide
PubChem CID25109392
Molecular FormulaC32H36N2O
Molecular Weight464.65 g/mol
Exact Mass464.28
IUPAC Name3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide
SMILESCC(C)c1ccccc1-c1cn(C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C)c2ccccc12
InChIInChI=1S/C32H36N2O/c1-21(2)23-11-7-8-12-24(23)26-20-34(29-14-10-9-13-25(26)29)30(35)33-22-15-16-27-28(19-22)32(5,6)18-17-31(27,3)4/h7-16,19-21H,17-18H2,1-6H3,(H,33,35)
InChIKeyJCCFAUUUNVXEMP-UHFFFAOYSA-N
XLogP8.86
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 58.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide?
The IUPAC name of 3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide (CID 25109392) is 3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide.
What is the SMILES notation for 3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide?
The canonical SMILES for 3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide is CC(C)c1ccccc1-c1cn(C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C)c2ccccc12.
What is the InChIKey of 3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide?
The InChIKey is JCCFAUUUNVXEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O/c1-21(2)23-11-7-8-12-24(23)26-20-34(29-14-10-9-13-25(26)29)30(35)33-22-15-16-27-28(19-22)32(5,6)18-17-31(27,3)4/h7-16,19-21H,17-18H2,1-6H3,(H,33,35).
What are the key properties of 3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide?
3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide has a molecular weight of 464.65 g/mol, XLogP of 8.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)indole-1-carboxamide is sourced from PubChem (CID 25109392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).