N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide

C20H29F3N2O3 — CID 2980320

IUPACN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide
SMILESCCCCC(=O)NC1(C(F)(F)F)C(=O)N(CC(C)C)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H29F3N2O3/c1-6-7-8-15(27)24-19(20(21,22)23)16-13(9-18(4,5)10-14(16)26)25(17(19)28)11-12(2)3/h12H,6-11H2,1-5H3,(H,24,27)
InChIKeyDKQUQNCVQISLJA-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.74
Rot. Bonds6

About N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide

N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide (PubChem CID 2980320) has the molecular formula C20H29F3N2O3 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide
PubChem CID2980320
Molecular FormulaC20H29F3N2O3
Molecular Weight402.46 g/mol
Exact Mass402.21
IUPAC NameN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide
SMILESCCCCC(=O)NC1(C(F)(F)F)C(=O)N(CC(C)C)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H29F3N2O3/c1-6-7-8-15(27)24-19(20(21,22)23)16-13(9-18(4,5)10-14(16)26)25(17(19)28)11-12(2)3/h12H,6-11H2,1-5H3,(H,24,27)
InChIKeyDKQUQNCVQISLJA-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide?
The IUPAC name of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide (CID 2980320) is N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide?
The canonical SMILES for N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide is CCCCC(=O)NC1(C(F)(F)F)C(=O)N(CC(C)C)C2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide?
The InChIKey is DKQUQNCVQISLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O3/c1-6-7-8-15(27)24-19(20(21,22)23)16-13(9-18(4,5)10-14(16)26)25(17(19)28)11-12(2)3/h12H,6-11H2,1-5H3,(H,24,27).
What are the key properties of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide?
N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide has a molecular weight of 402.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide is sourced from PubChem (CID 2980320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).