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

C18H25F3N2O3 — CID 46500689

IUPACN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide
SMILESCCC(=O)NC1(C(F)(F)F)C(=O)N(CC(C)C)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H25F3N2O3/c1-6-13(25)22-17(18(19,20)21)14-11(7-16(4,5)8-12(14)24)23(15(17)26)9-10(2)3/h10H,6-9H2,1-5H3,(H,22,25)
InChIKeyMTGBUVRXNNPYLR-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.96
Rot. Bonds4

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

N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide (PubChem CID 46500689) has the molecular formula C18H25F3N2O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide
PubChem CID46500689
Molecular FormulaC18H25F3N2O3
Molecular Weight374.40 g/mol
Exact Mass374.18
IUPAC NameN-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide
SMILESCCC(=O)NC1(C(F)(F)F)C(=O)N(CC(C)C)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H25F3N2O3/c1-6-13(25)22-17(18(19,20)21)14-11(7-16(4,5)8-12(14)24)23(15(17)26)9-10(2)3/h10H,6-9H2,1-5H3,(H,22,25)
InChIKeyMTGBUVRXNNPYLR-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.96
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]propanamide?
The IUPAC name of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide (CID 46500689) is N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide?
The canonical SMILES for N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide is CCC(=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]propanamide?
The InChIKey is MTGBUVRXNNPYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O3/c1-6-13(25)22-17(18(19,20)21)14-11(7-16(4,5)8-12(14)24)23(15(17)26)9-10(2)3/h10H,6-9H2,1-5H3,(H,22,25).
What are the key properties of N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide?
N-[6,6-dimethyl-1-(2-methylpropyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide has a molecular weight of 374.40 g/mol, XLogP of 2.96, 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]propanamide is sourced from PubChem (CID 46500689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).