N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide

C23H42F3N3O4 — CID 167522063

About N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide

N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide (PubChem CID 167522063) has the molecular formula C23H42F3N3O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide
• PubChem CID: 167522063
• Molecular Formula: C23H42F3N3O4
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.31
• IUPAC Name: N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide
• SMILES: CCC(C)(C)NC=O.C[C@H](CC(=O)N1C[C@H](C)C(C)(C)C1)OC1(C)CC1.NC(=O)C(F)(F)F
• InChI: InChI=1S/C15H27NO2.C6H13NO.C2H2F3NO/c1-11-9-16(10-14(11,3)4)13(17)8-12(2)18-15(5)6-7-15;1-4-6(2,3)7-5-8;3-2(4,5)1(6)7/h11-12H,6-10H2,1-5H3;5H,4H2,1-3H3,(H,7,8);(H2,6,7)/t11-,12+;;/m0../s1
• InChIKey: FBGLKWSEBSYHBT-UVDYRLMLSA-N
• XLogP: 3.79
• TPSA: 101.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide?

The IUPAC name of N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide (CID 167522063) is N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide.

What is the SMILES notation for N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide?

The canonical SMILES for N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide is CCC(C)(C)NC=O.C[C@H](CC(=O)N1C[C@H](C)C(C)(C)C1)OC1(C)CC1.NC(=O)C(F)(F)F.

What is the InChIKey of N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide?

The InChIKey is FBGLKWSEBSYHBT-UVDYRLMLSA-N. The full InChI is InChI=1S/C15H27NO2.C6H13NO.C2H2F3NO/c1-11-9-16(10-14(11,3)4)13(17)8-12(2)18-15(5)6-7-15;1-4-6(2,3)7-5-8;3-2(4,5)1(6)7/h11-12H,6-10H2,1-5H3;5H,4H2,1-3H3,(H,7,8);(H2,6,7)/t11-,12+;;/m0../s1.

What are the key properties of N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide?

N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide has a molecular weight of 481.60 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylbutan-2-yl)formamide;(3R)-3-(1-methylcyclopropyl)oxy-1-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]butan-1-one;2,2,2-trifluoroacetamide is sourced from PubChem (CID 167522063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).