N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide

C25H32N2O2 — CID 24749273

IUPACN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide
SMILESO=C(CCCCCCCCc1ccccc1)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C25H32N2O2/c28-22-14-15-24-23(18-22)21(19-27-24)16-17-26-25(29)13-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,14-15,18-19,27-28H,1-4,6,9-10,13,16-17H2,(H,26,29)
InChIKeyDEHYSEZIPYXONN-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.51
Rot. Bonds12

About N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide (PubChem CID 24749273) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide
PubChem CID24749273
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide
SMILESO=C(CCCCCCCCc1ccccc1)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C25H32N2O2/c28-22-14-15-24-23(18-22)21(19-27-24)16-17-26-25(29)13-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,14-15,18-19,27-28H,1-4,6,9-10,13,16-17H2,(H,26,29)
InChIKeyDEHYSEZIPYXONN-UHFFFAOYSA-N
XLogP5.51
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.51
H-Bond Donors ≤ 53
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-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide?
The IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide (CID 24749273) is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide.
What is the SMILES notation for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide?
The canonical SMILES for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide is O=C(CCCCCCCCc1ccccc1)NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide?
The InChIKey is DEHYSEZIPYXONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c28-22-14-15-24-23(18-22)21(19-27-24)16-17-26-25(29)13-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,14-15,18-19,27-28H,1-4,6,9-10,13,16-17H2,(H,26,29).
What are the key properties of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide?
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide has a molecular weight of 392.54 g/mol, XLogP of 5.51, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-9-phenylnonanamide is sourced from PubChem (CID 24749273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).