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

C14H23F3N2O — CID 124860674

IUPAC(3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC1(CNC(=O)N2CC[C@@H](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)/t10-/m1/s1
InChIKeyDEFCYPRLUQZTGK-SNVBAGLBSA-N
MW292.34 g/mol
LogP3.55
Rot. Bonds2

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

(3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 124860674) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID124860674
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name(3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC1(CNC(=O)N2CC[C@@H](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)/t10-/m1/s1
InChIKeyDEFCYPRLUQZTGK-SNVBAGLBSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 124860674) is (3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is CC1(CNC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)CCC1.
What is the InChIKey of (3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is DEFCYPRLUQZTGK-SNVBAGLBSA-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)/t10-/m1/s1.
What are the key properties of (3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
(3R)-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 (3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124860674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).