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

C20H29F3N2O3 — CID 4245575

IUPACN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methylbutanamide
SMILESCCCCN1C(=O)C(NC(=O)CC(C)C)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C20H29F3N2O3/c1-6-7-8-25-13-10-18(4,5)11-14(26)16(13)19(17(25)28,20(21,22)23)24-15(27)9-12(2)3/h12H,6-11H2,1-5H3,(H,24,27)
InChIKeyFCFOQDQBRPDGRI-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.74
Rot. Bonds6

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

N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methylbutanamide (PubChem CID 4245575) 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]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methylbutanamide
PubChem CID4245575
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]-3-methylbutanamide
SMILESCCCCN1C(=O)C(NC(=O)CC(C)C)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C20H29F3N2O3/c1-6-7-8-25-13-10-18(4,5)11-14(26)16(13)19(17(25)28,20(21,22)23)24-15(27)9-12(2)3/h12H,6-11H2,1-5H3,(H,24,27)
InChIKeyFCFOQDQBRPDGRI-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

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

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Related Compounds

CID 3991302
CID 3991302
CID 3946057
CID 3946057
CID 2980320
CID 2980320
CID 5060415
CID 5060415
CID 16763962
CID 16763962
CID 16764023
CID 16764023
CID 3799893
CID 3799893
CID 2967020
CID 2967020
CID 2967452
CID 2967452
CID 46500665
CID 46500665
CID 46500688
CID 46500688
CID 46500689
CID 46500689

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]-3-methylbutanamide?
The IUPAC name of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methylbutanamide (CID 4245575) is N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methylbutanamide is CCCCN1C(=O)C(NC(=O)CC(C)C)(C(F)(F)F)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methylbutanamide?
The InChIKey is FCFOQDQBRPDGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O3/c1-6-7-8-25-13-10-18(4,5)11-14(26)16(13)19(17(25)28,20(21,22)23)24-15(27)9-12(2)3/h12H,6-11H2,1-5H3,(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]-3-methylbutanamide?
N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methylbutanamide 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-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 4245575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).