methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal

C29H39F3N2O4 — CID 143575450

About methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal

methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal (PubChem CID 143575450) has the molecular formula C29H39F3N2O4 and a molecular weight of 536.64 g/mol. Its IUPAC name is methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal.

Molecular Properties

• Compound Name: methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal
• PubChem CID: 143575450
• Molecular Formula: C29H39F3N2O4
• Molecular Weight: 536.64 g/mol
• Exact Mass: 536.29
• IUPAC Name: methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal
• SMILES: CC(C)Cc1ccc(COc2ccc3c(c2)CCN3C(=O)CN(C)CCC=O)cc1C(F)(F)F.CCOC
• InChI: InChI=1S/C26H31F3N2O3.C3H8O/c1-18(2)13-20-6-5-19(14-23(20)26(27,28)29)17-34-22-7-8-24-21(15-22)9-11-31(24)25(33)16-30(3)10-4-12-32;1-3-4-2/h5-8,12,14-15,18H,4,9-11,13,16-17H2,1-3H3;3H2,1-2H3
• InChIKey: HLDQSOPWMQGNFT-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.64
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal?

The IUPAC name of methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal (CID 143575450) is methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal.

What is the SMILES notation for methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal?

The canonical SMILES for methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal is CC(C)Cc1ccc(COc2ccc3c(c2)CCN3C(=O)CN(C)CCC=O)cc1C(F)(F)F.CCOC.

What is the InChIKey of methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal?

The InChIKey is HLDQSOPWMQGNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N2O3.C3H8O/c1-18(2)13-20-6-5-19(14-23(20)26(27,28)29)17-34-22-7-8-24-21(15-22)9-11-31(24)25(33)16-30(3)10-4-12-32;1-3-4-2/h5-8,12,14-15,18H,4,9-11,13,16-17H2,1-3H3;3H2,1-2H3.

What are the key properties of methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal?

methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal has a molecular weight of 536.64 g/mol, XLogP of 5.55, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methoxyethane;3-[methyl-[2-[5-[[4-(2-methylpropyl)-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]propanal is sourced from PubChem (CID 143575450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).