[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate

C19H19F3N2O5 — CID 42889737

About [2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate

[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate (PubChem CID 42889737) has the molecular formula C19H19F3N2O5 and a molecular weight of 412.36 g/mol. Its IUPAC name is [2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

• Compound Name: [2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
• PubChem CID: 42889737
• Molecular Formula: C19H19F3N2O5
• Molecular Weight: 412.36 g/mol
• Exact Mass: 412.12
• IUPAC Name: [2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
• SMILES: CC(C1CC1)N(CC(F)(F)F)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O
• InChI: InChI=1S/C19H19F3N2O5/c1-10(11-3-4-11)24(9-19(20,21)22)15(25)8-29-18(28)12-5-6-13-14(7-12)17(27)23(2)16(13)26/h5-7,10-11H,3-4,8-9H2,1-2H3
• InChIKey: SYXWPQWGZIACHS-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 83.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.36
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate?

The IUPAC name of [2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate (CID 42889737) is [2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate.

What is the SMILES notation for [2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate?

The canonical SMILES for [2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate is CC(C1CC1)N(CC(F)(F)F)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O.

What is the InChIKey of [2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate?

The InChIKey is SYXWPQWGZIACHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O5/c1-10(11-3-4-11)24(9-19(20,21)22)15(25)8-29-18(28)12-5-6-13-14(7-12)17(27)23(2)16(13)26/h5-7,10-11H,3-4,8-9H2,1-2H3.

What are the key properties of [2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate?

[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 412.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 42889737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).