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

C20H29F3N2O3 — CID 46500715

IUPACN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide
SMILESCCCCC(=O)NC1(C(F)(F)F)C(=O)N(CCCC)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H29F3N2O3/c1-5-7-9-15(27)24-19(20(21,22)23)16-13(11-18(3,4)12-14(16)26)25(17(19)28)10-8-6-2/h5-12H2,1-4H3,(H,24,27)
InChIKeyBDGKNPSRPQMEOB-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.88
Rot. Bonds7

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

N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide (PubChem CID 46500715) has the molecular formula C20H29F3N2O3 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide.

Molecular Properties

Compound NameN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide
PubChem CID46500715
Molecular FormulaC20H29F3N2O3
Molecular Weight402.46 g/mol
Exact Mass402.21
IUPAC NameN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide
SMILESCCCCC(=O)NC1(C(F)(F)F)C(=O)N(CCCC)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H29F3N2O3/c1-5-7-9-15(27)24-19(20(21,22)23)16-13(11-18(3,4)12-14(16)26)25(17(19)28)10-8-6-2/h5-12H2,1-4H3,(H,24,27)
InChIKeyBDGKNPSRPQMEOB-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide?
The IUPAC name of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide (CID 46500715) is N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide.
What is the SMILES notation for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide?
The canonical SMILES for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide is CCCCC(=O)NC1(C(F)(F)F)C(=O)N(CCCC)C2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide?
The InChIKey is BDGKNPSRPQMEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O3/c1-5-7-9-15(27)24-19(20(21,22)23)16-13(11-18(3,4)12-14(16)26)25(17(19)28)10-8-6-2/h5-12H2,1-4H3,(H,24,27).
What are the key properties of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide?
N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide has a molecular weight of 402.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pentanamide is sourced from PubChem (CID 46500715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).