1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide

C17H24N2O2 — CID 46538156

IUPAC1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
SMILESCCCCCCNC(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C17H24N2O2/c1-3-4-5-6-10-18-17(21)15-7-8-16-14(12-15)9-11-19(16)13(2)20/h7-8,12H,3-6,9-11H2,1-2H3,(H,18,21)
InChIKeyTVGPFURZZZNURN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.91
Rot. Bonds6

About 1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide

1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide (PubChem CID 46538156) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
PubChem CID46538156
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
SMILESCCCCCCNC(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C17H24N2O2/c1-3-4-5-6-10-18-17(21)15-7-8-16-14(12-15)9-11-19(16)13(2)20/h7-8,12H,3-6,9-11H2,1-2H3,(H,18,21)
InChIKeyTVGPFURZZZNURN-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487
1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43049282
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485516
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762
1-(4-chlorophenyl)sulfonyl-N-pentyl-2,3-dihydroindole-5-carboxamide
CID 23608866
1-acetyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 56520293
1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide
CID 119260114
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 119260435

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide (CID 46538156) is 1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide is CCCCCCNC(=O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is TVGPFURZZZNURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-4-5-6-10-18-17(21)15-7-8-16-14(12-15)9-11-19(16)13(2)20/h7-8,12H,3-6,9-11H2,1-2H3,(H,18,21).
What are the key properties of 1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 46538156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).