N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide

C23H28N2O — CID 57340104

IUPACN-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide
SMILESCCCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H28N2O/c1-2-3-5-14-23(26)24-16-15-20-19-12-8-9-13-21(19)25-22(20)17-18-10-6-4-7-11-18/h4,6-13,25H,2-3,5,14-17H2,1H3,(H,24,26)
InChIKeyQZEICWUXNUBJBN-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.00
Rot. Bonds9

About N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide

N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide (PubChem CID 57340104) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide
PubChem CID57340104
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide
SMILESCCCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H28N2O/c1-2-3-5-14-23(26)24-16-15-20-19-12-8-9-13-21(19)25-22(20)17-18-10-6-4-7-11-18/h4,6-13,25H,2-3,5,14-17H2,1H3,(H,24,26)
InChIKeyQZEICWUXNUBJBN-UHFFFAOYSA-N
XLogP5.00
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzylundecanamide
CID 5078198
N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 67779850
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
2-benzyl-3-butyl-1H-quinolin-4-one
CID 131850780
2-benzyl-3-ethyl-1H-indole
CID 13115106
N-(4-phenylbutyl)hexanamide
CID 4985988
N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide
CID 175508905
(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
CID 162516977
N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide
CID 167105628
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-benzyldocos-13-enamide;hydrochloride
CID 173286408
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide?
The IUPAC name of N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide (CID 57340104) is N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide.
What is the SMILES notation for N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide?
The canonical SMILES for N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide is CCCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide?
The InChIKey is QZEICWUXNUBJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-2-3-5-14-23(26)24-16-15-20-19-12-8-9-13-21(19)25-22(20)17-18-10-6-4-7-11-18/h4,6-13,25H,2-3,5,14-17H2,1H3,(H,24,26).
What are the key properties of N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide?
N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide has a molecular weight of 348.49 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 57340104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).