2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C14H23F3N2O — CID 119044404

IUPAC2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC1(CNC(=O)N2CCC(C(F)(F)F)C2(C)C)CCC1
InChIInChI=1S/C14H23F3N2O/c1-12(2)10(14(15,16)17)5-8-19(12)11(20)18-9-13(3)6-4-7-13/h10H,4-9H2,1-3H3,(H,18,20)
InChIKeyDEFCYPRLUQZTGK-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.55
Rot. Bonds2

About 2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide

2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 119044404) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID119044404
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC1(CNC(=O)N2CCC(C(F)(F)F)C2(C)C)CCC1
InChIInChI=1S/C14H23F3N2O/c1-12(2)10(14(15,16)17)5-8-19(12)11(20)18-9-13(3)6-4-7-13/h10H,4-9H2,1-3H3,(H,18,20)
InChIKeyDEFCYPRLUQZTGK-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 119044404) is 2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is CC1(CNC(=O)N2CCC(C(F)(F)F)C2(C)C)CCC1.
What is the InChIKey of 2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is DEFCYPRLUQZTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-12(2)10(14(15,16)17)5-8-19(12)11(20)18-9-13(3)6-4-7-13/h10H,4-9H2,1-3H3,(H,18,20).
What are the key properties of 2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 119044404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).