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

C22H31F3N2O3 — CID 3799893

IUPACN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
SMILESCC(C)CN1C(=O)C(NC(=O)C2CCCCC2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C22H31F3N2O3/c1-13(2)12-27-15-10-20(3,4)11-16(28)17(15)21(19(27)30,22(23,24)25)26-18(29)14-8-6-5-7-9-14/h13-14H,5-12H2,1-4H3,(H,26,29)
InChIKeyKAYDCXFNAVEMQU-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.13
Rot. Bonds4

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

N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide (PubChem CID 3799893) has the molecular formula C22H31F3N2O3 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
PubChem CID3799893
Molecular FormulaC22H31F3N2O3
Molecular Weight428.50 g/mol
Exact Mass428.23
IUPAC NameN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
SMILESCC(C)CN1C(=O)C(NC(=O)C2CCCCC2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C22H31F3N2O3/c1-13(2)12-27-15-10-20(3,4)11-16(28)17(15)21(19(27)30,22(23,24)25)26-18(29)14-8-6-5-7-9-14/h13-14H,5-12H2,1-4H3,(H,26,29)
InChIKeyKAYDCXFNAVEMQU-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.13
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]cyclohexanecarboxamide?
The IUPAC name of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide (CID 3799893) is N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide is CC(C)CN1C(=O)C(NC(=O)C2CCCCC2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide?
The InChIKey is KAYDCXFNAVEMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N2O3/c1-13(2)12-27-15-10-20(3,4)11-16(28)17(15)21(19(27)30,22(23,24)25)26-18(29)14-8-6-5-7-9-14/h13-14H,5-12H2,1-4H3,(H,26,29).
What are the key properties of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide?
N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide has a molecular weight of 428.50 g/mol, XLogP of 4.13, 4 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]cyclohexanecarboxamide is sourced from PubChem (CID 3799893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).