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

C24H32N2O2 — CID 118544036

IUPACN-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c2ccccc21
InChIInChI=1S/C24H32N2O2/c1-2-3-6-9-26-15-20(19-7-4-5-8-21(19)26)22(27)25-23-11-17-10-18(12-23)14-24(28,13-17)16-23/h4-5,7-8,15,17-18,28H,2-3,6,9-14,16H2,1H3,(H,25,27)
InChIKeyQLEQCPNVULOUKJ-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.64
Rot. Bonds6

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

N-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide (PubChem CID 118544036) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide
PubChem CID118544036
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c2ccccc21
InChIInChI=1S/C24H32N2O2/c1-2-3-6-9-26-15-20(19-7-4-5-8-21(19)26)22(27)25-23-11-17-10-18(12-23)14-24(28,13-17)16-23/h4-5,7-8,15,17-18,28H,2-3,6,9-14,16H2,1H3,(H,25,27)
InChIKeyQLEQCPNVULOUKJ-UHFFFAOYSA-N
XLogP4.64
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide?
The IUPAC name of N-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide (CID 118544036) is N-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide is CCCCCn1cc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c2ccccc21.
What is the InChIKey of N-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide?
The InChIKey is QLEQCPNVULOUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-2-3-6-9-26-15-20(19-7-4-5-8-21(19)26)22(27)25-23-11-17-10-18(12-23)14-24(28,13-17)16-23/h4-5,7-8,15,17-18,28H,2-3,6,9-14,16H2,1H3,(H,25,27).
What are the key properties of N-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide?
N-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide is sourced from PubChem (CID 118544036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).