2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide

C19H26N2O2 — CID 175772189

IUPAC2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide
SMILESCCCCCC(CC)NC(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C19H26N2O2/c1-4-6-7-10-14(5-2)20-19(23)18(22)16-13-21(3)17-12-9-8-11-15(16)17/h8-9,11-14H,4-7,10H2,1-3H3,(H,20,23)
InChIKeyPLEXOJSADVILDV-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.84
Rot. Bonds8

About 2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide

2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide (PubChem CID 175772189) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide
PubChem CID175772189
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide
SMILESCCCCCC(CC)NC(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C19H26N2O2/c1-4-6-7-10-14(5-2)20-19(23)18(22)16-13-21(3)17-12-9-8-11-15(16)17/h8-9,11-14H,4-7,10H2,1-3H3,(H,20,23)
InChIKeyPLEXOJSADVILDV-UHFFFAOYSA-N
XLogP3.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 44596466
2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
N-decan-3-yl-1-methylindazole-3-carboxamide
CID 67866590
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
hexyl 1-methylindole-3-carboxylate
CID 135057842
2-(methylamino)-1-(1-methylindol-3-yl)butan-1-one
CID 82288926
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
N-ethyl-1-methylindole-3-carboxamide
CID 25348690

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide (CID 175772189) is 2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide is CCCCCC(CC)NC(=O)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide?
The InChIKey is PLEXOJSADVILDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-6-7-10-14(5-2)20-19(23)18(22)16-13-21(3)17-12-9-8-11-15(16)17/h8-9,11-14H,4-7,10H2,1-3H3,(H,20,23).
What are the key properties of 2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide?
2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide has a molecular weight of 314.43 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide is sourced from PubChem (CID 175772189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).