N-(1-adamantyl)-1-pentylindole-3-carboxamide

C24H32N2O — CID 71308155

IUPACN-(1-adamantyl)-1-pentylindole-3-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C24H32N2O/c1-2-3-6-9-26-16-21(20-7-4-5-8-22(20)26)23(27)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,25,27)
InChIKeyMDJYHWLDDJBTMX-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.53
Rot. Bonds6

About N-(1-adamantyl)-1-pentylindole-3-carboxamide

N-(1-adamantyl)-1-pentylindole-3-carboxamide (PubChem CID 71308155) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-(1-adamantyl)-1-pentylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-pentylindole-3-carboxamide
PubChem CID71308155
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-(1-adamantyl)-1-pentylindole-3-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C24H32N2O/c1-2-3-6-9-26-16-21(20-7-4-5-8-22(20)26)23(27)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,25,27)
InChIKeyMDJYHWLDDJBTMX-UHFFFAOYSA-N
XLogP5.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.53
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 N-(1-adamantyl)-1-pentylindole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-pentylindole-3-carboxamide (CID 71308155) is N-(1-adamantyl)-1-pentylindole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-pentylindole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-pentylindole-3-carboxamide is CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21.
What is the InChIKey of N-(1-adamantyl)-1-pentylindole-3-carboxamide?
The InChIKey is MDJYHWLDDJBTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-2-3-6-9-26-16-21(20-7-4-5-8-22(20)26)23(27)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,25,27).
What are the key properties of N-(1-adamantyl)-1-pentylindole-3-carboxamide?
N-(1-adamantyl)-1-pentylindole-3-carboxamide has a molecular weight of 364.53 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-pentylindole-3-carboxamide is sourced from PubChem (CID 71308155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).