N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide

C25H29F3N2O6 — CID 92651743

IUPACN-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(C[C@H]3CCCO3)C3=C2C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C25H29F3N2O6/c1-23(2)11-16-20(17(31)12-23)24(25(26,27)28,22(33)30(16)13-15-6-5-9-36-15)29-21(32)14-7-8-18(34-3)19(10-14)35-4/h7-8,10,15H,5-6,9,11-13H2,1-4H3,(H,29,32)/t15-,24-/m1/s1
InChIKeyHBOCNDWKQHUNPJ-OYLFLEFRSA-N
MW510.51 g/mol
LogP3.40
Rot. Bonds6

About N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide

N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide (PubChem CID 92651743) has the molecular formula C25H29F3N2O6 and a molecular weight of 510.51 g/mol. Its IUPAC name is N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
PubChem CID92651743
Molecular FormulaC25H29F3N2O6
Molecular Weight510.51 g/mol
Exact Mass510.20
IUPAC NameN-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(C[C@H]3CCCO3)C3=C2C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C25H29F3N2O6/c1-23(2)11-16-20(17(31)12-23)24(25(26,27)28,22(33)30(16)13-15-6-5-9-36-15)29-21(32)14-7-8-18(34-3)19(10-14)35-4/h7-8,10,15H,5-6,9,11-13H2,1-4H3,(H,29,32)/t15-,24-/m1/s1
InChIKeyHBOCNDWKQHUNPJ-OYLFLEFRSA-N
XLogP3.40
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide
CID 92651782
2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
CID 42578725
N-[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 46500704
N-[(3R)-1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 98153396
N-[1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 4917329
N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 92651732
N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 46500693
N-[(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide
CID 2217179
N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide
CID 46500732
N-[1-[(2-methoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]furan-2-carboxamide
CID 5211928
N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide
CID 4978721
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-propan-2-yloxybenzamide
CID 2068589

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide (CID 92651743) is N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(C[C@H]3CCCO3)C3=C2C(=O)CC(C)(C)C3)cc1OC.
What is the InChIKey of N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is HBOCNDWKQHUNPJ-OYLFLEFRSA-N. The full InChI is InChI=1S/C25H29F3N2O6/c1-23(2)11-16-20(17(31)12-23)24(25(26,27)28,22(33)30(16)13-15-6-5-9-36-15)29-21(32)14-7-8-18(34-3)19(10-14)35-4/h7-8,10,15H,5-6,9,11-13H2,1-4H3,(H,29,32)/t15-,24-/m1/s1.
What are the key properties of N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide?
N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 510.51 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 92651743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).