N-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide

C22H26N2O2 — CID 15211863

IUPACN-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide
SMILESCCCCCCN(C(=O)c1cc2cc(O)ccc2n1C)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-3-4-5-9-14-24(18-10-7-6-8-11-18)22(26)21-16-17-15-19(25)12-13-20(17)23(21)2/h6-8,10-13,15-16,25H,3-5,9,14H2,1-2H3
InChIKeyKEXOILIIEGWNPZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.11
Rot. Bonds7

About N-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide

N-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide (PubChem CID 15211863) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide
PubChem CID15211863
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide
SMILESCCCCCCN(C(=O)c1cc2cc(O)ccc2n1C)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-3-4-5-9-14-24(18-10-7-6-8-11-18)22(26)21-16-17-15-19(25)12-13-20(17)23(21)2/h6-8,10-13,15-16,25H,3-5,9,14H2,1-2H3
InChIKeyKEXOILIIEGWNPZ-UHFFFAOYSA-N
XLogP5.11
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
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-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide?
The IUPAC name of N-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide (CID 15211863) is N-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide.
What is the SMILES notation for N-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide?
The canonical SMILES for N-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide is CCCCCCN(C(=O)c1cc2cc(O)ccc2n1C)c1ccccc1.
What is the InChIKey of N-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide?
The InChIKey is KEXOILIIEGWNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-4-5-9-14-24(18-10-7-6-8-11-18)22(26)21-16-17-15-19(25)12-13-20(17)23(21)2/h6-8,10-13,15-16,25H,3-5,9,14H2,1-2H3.
What are the key properties of N-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide?
N-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide is sourced from PubChem (CID 15211863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).