N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide

C21H24N2O2 — CID 15211860

IUPACN-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide
SMILESCCCCCCN(C(=O)c1cc2cc(O)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-3-4-8-13-23(17-9-6-5-7-10-17)21(25)20-15-16-14-18(24)11-12-19(16)22-20/h5-7,9-12,14-15,22,24H,2-4,8,13H2,1H3
InChIKeyLXTPZDQFMUHYJL-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.10
Rot. Bonds7

About N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide

N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide (PubChem CID 15211860) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide
PubChem CID15211860
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide
SMILESCCCCCCN(C(=O)c1cc2cc(O)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-3-4-8-13-23(17-9-6-5-7-10-17)21(25)20-15-16-14-18(24)11-12-19(16)22-20/h5-7,9-12,14-15,22,24H,2-4,8,13H2,1H3
InChIKeyLXTPZDQFMUHYJL-UHFFFAOYSA-N
XLogP5.10
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.10
H-Bond Donors ≤ 52
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-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide (CID 15211860) is N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide is CCCCCCN(C(=O)c1cc2cc(O)ccc2[nH]1)c1ccccc1.
What is the InChIKey of N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide?
The InChIKey is LXTPZDQFMUHYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-3-4-8-13-23(17-9-6-5-7-10-17)21(25)20-15-16-14-18(24)11-12-19(16)22-20/h5-7,9-12,14-15,22,24H,2-4,8,13H2,1H3.
What are the key properties of N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide?
N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-hydroxy-N-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 15211860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).