1-indol-1-yloctadecan-1-one

C26H41NO — CID 58661273

IUPAC1-indol-1-yloctadecan-1-one
SMILESCCCCCCCCCCCCCCCCCC(=O)n1ccc2ccccc21
InChIInChI=1S/C26H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(28)27-23-22-24-19-17-18-20-25(24)27/h17-20,22-23H,2-16,21H2,1H3
InChIKeyWZRNRCDLDFEPMM-UHFFFAOYSA-N
MW383.62 g/mol
LogP8.54
Rot. Bonds16

About 1-indol-1-yloctadecan-1-one

1-indol-1-yloctadecan-1-one (PubChem CID 58661273) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is 1-indol-1-yloctadecan-1-one.

Molecular Properties

Compound Name1-indol-1-yloctadecan-1-one
PubChem CID58661273
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC Name1-indol-1-yloctadecan-1-one
SMILESCCCCCCCCCCCCCCCCCC(=O)n1ccc2ccccc21
InChIInChI=1S/C26H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(28)27-23-22-24-19-17-18-20-25(24)27/h17-20,22-23H,2-16,21H2,1H3
InChIKeyWZRNRCDLDFEPMM-UHFFFAOYSA-N
XLogP8.54
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-acetamido-2-(5-indol-1-yl-5-oxopentyl)propanedioate
CID 11112492
4-[(4-indol-1-yl-4-oxobutanoyl)amino]butanoic acid
CID 84556637
4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 84557053
1-(2-sulfanylidene-1,3-benzoxazol-3-yl)dodecan-1-one
CID 71348638
(2-oxoquinolin-1-yl) undecanoate
CID 57076345
1-pyrrol-1-yltetradecan-1-one
CID 91591634
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]hexadecan-1-one
CID 166138506
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]octadecan-1-one
CID 166138351
3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one
CID 134899912
N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552820
1-(3-acetyl-2-sulfanylidenebenzimidazol-1-yl)hexan-1-one
CID 54769395
1-indol-1-ylheptan-4-one
CID 142802450

Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yloctadecan-1-one?
The IUPAC name of 1-indol-1-yloctadecan-1-one (CID 58661273) is 1-indol-1-yloctadecan-1-one.
What is the SMILES notation for 1-indol-1-yloctadecan-1-one?
The canonical SMILES for 1-indol-1-yloctadecan-1-one is CCCCCCCCCCCCCCCCCC(=O)n1ccc2ccccc21.
What is the InChIKey of 1-indol-1-yloctadecan-1-one?
The InChIKey is WZRNRCDLDFEPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(28)27-23-22-24-19-17-18-20-25(24)27/h17-20,22-23H,2-16,21H2,1H3.
What are the key properties of 1-indol-1-yloctadecan-1-one?
1-indol-1-yloctadecan-1-one has a molecular weight of 383.62 g/mol, XLogP of 8.54, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yloctadecan-1-one is sourced from PubChem (CID 58661273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).