N-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C20H27F3N2O2 — CID 42680418

IUPACN-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCN(C)C(=O)C1CN(C(=O)CC(C)C)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H27F3N2O2/c1-5-24(4)19(27)17-12-25(18(26)9-13(2)3)11-16(17)14-7-6-8-15(10-14)20(21,22)23/h6-8,10,13,16-17H,5,9,11-12H2,1-4H3
InChIKeyVNHUWEWBAMGRHP-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.77
Rot. Bonds5

About N-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 42680418) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID42680418
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC NameN-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCN(C)C(=O)C1CN(C(=O)CC(C)C)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H27F3N2O2/c1-5-24(4)19(27)17-12-25(18(26)9-13(2)3)11-16(17)14-7-6-8-15(10-14)20(21,22)23/h6-8,10,13,16-17H,5,9,11-12H2,1-4H3
InChIKeyVNHUWEWBAMGRHP-UHFFFAOYSA-N
XLogP3.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 42680418) is N-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CCN(C)C(=O)C1CN(C(=O)CC(C)C)CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is VNHUWEWBAMGRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-5-24(4)19(27)17-12-25(18(26)9-13(2)3)11-16(17)14-7-6-8-15(10-14)20(21,22)23/h6-8,10,13,16-17H,5,9,11-12H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42680418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).