2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

C26H38F3N3O3 — CID 66625137

About 2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 66625137) has the molecular formula C26H38F3N3O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 66625137
• Molecular Formula: C26H38F3N3O3
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.29
• IUPAC Name: 2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)C1C(C)(C)C1(C)C.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H37N3O.C2HF3O2/c1-16-14-18(26-13-11-19(15-26)27-12-7-8-17(27)2)9-10-20(16)25-22(28)21-23(3,4)24(21,5)6;3-2(4,5)1(6)7/h9-10,14,17,19,21H,7-8,11-13,15H2,1-6H3,(H,25,28);(H,6,7)
• InChIKey: IUDJFMMCKFOICU-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 72.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 66625137) is 2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)C1C(C)(C)C1(C)C.O=C(O)C(F)(F)F.

What is the InChIKey of 2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is IUDJFMMCKFOICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O.C2HF3O2/c1-16-14-18(26-13-11-19(15-26)27-12-7-8-17(27)2)9-10-20(16)25-22(28)21-23(3,4)24(21,5)6;3-2(4,5)1(6)7/h9-10,14,17,19,21H,7-8,11-13,15H2,1-6H3,(H,25,28);(H,6,7).

What are the key properties of 2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 497.60 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66625137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).