N-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide

C22H26N2O — CID 10065495

IUPACN-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide
SMILESCCCCCCNC(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H26N2O/c1-2-3-4-10-15-23-21(25)16-19-18-13-8-9-14-20(18)24-22(19)17-11-6-5-7-12-17/h5-9,11-14,24H,2-4,10,15-16H2,1H3,(H,23,25)
InChIKeySVHWOYODYBUWLL-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.07
Rot. Bonds8

About N-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide

N-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide (PubChem CID 10065495) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide
PubChem CID10065495
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide
SMILESCCCCCCNC(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H26N2O/c1-2-3-4-10-15-23-21(25)16-19-18-13-8-9-14-20(18)24-22(19)17-11-6-5-7-12-17/h5-9,11-14,24H,2-4,10,15-16H2,1H3,(H,23,25)
InChIKeySVHWOYODYBUWLL-UHFFFAOYSA-N
XLogP5.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-2-(2-phenyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide (CID 10065495) is N-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide is CCCCCCNC(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide?
The InChIKey is SVHWOYODYBUWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-3-4-10-15-23-21(25)16-19-18-13-8-9-14-20(18)24-22(19)17-11-6-5-7-12-17/h5-9,11-14,24H,2-4,10,15-16H2,1H3,(H,23,25).
What are the key properties of N-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide?
N-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide has a molecular weight of 334.46 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(2-phenyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 10065495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).