10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid

C25H40N2O3 — CID 24950720

IUPAC10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid
SMILESCc1cc(C)c(NC(=O)C(C)(C)C)c2c1CCN2CCCCCCCCCC(=O)O
InChIInChI=1S/C25H40N2O3/c1-18-17-19(2)22(26-24(30)25(3,4)5)23-20(18)14-16-27(23)15-12-10-8-6-7-9-11-13-21(28)29/h17H,6-16H2,1-5H3,(H,26,30)(H,28,29)
InChIKeyOQVPLOUASNKKHM-UHFFFAOYSA-N
MW416.61 g/mol
LogP5.86
Rot. Bonds11

About 10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid

10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid (PubChem CID 24950720) has the molecular formula C25H40N2O3 and a molecular weight of 416.61 g/mol. Its IUPAC name is 10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid.

Molecular Properties

Compound Name10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid
PubChem CID24950720
Molecular FormulaC25H40N2O3
Molecular Weight416.61 g/mol
Exact Mass416.30
IUPAC Name10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid
SMILESCc1cc(C)c(NC(=O)C(C)(C)C)c2c1CCN2CCCCCCCCCC(=O)O
InChIInChI=1S/C25H40N2O3/c1-18-17-19(2)22(26-24(30)25(3,4)5)23-20(18)14-16-27(23)15-12-10-8-6-7-9-11-13-21(28)29/h17H,6-16H2,1-5H3,(H,26,30)(H,28,29)
InChIKeyOQVPLOUASNKKHM-UHFFFAOYSA-N
XLogP5.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid?
The IUPAC name of 10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid (CID 24950720) is 10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid.
What is the SMILES notation for 10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid?
The canonical SMILES for 10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid is Cc1cc(C)c(NC(=O)C(C)(C)C)c2c1CCN2CCCCCCCCCC(=O)O.
What is the InChIKey of 10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid?
The InChIKey is OQVPLOUASNKKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O3/c1-18-17-19(2)22(26-24(30)25(3,4)5)23-20(18)14-16-27(23)15-12-10-8-6-7-9-11-13-21(28)29/h17H,6-16H2,1-5H3,(H,26,30)(H,28,29).
What are the key properties of 10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid?
10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid has a molecular weight of 416.61 g/mol, XLogP of 5.86, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydroindol-1-yl]decanoic acid is sourced from PubChem (CID 24950720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).