N-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H20F3N3O2 — CID 63709515

IUPACN-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O2/c1-2-3-6-18(7-9(16)19)10(20)11(12(13,14)15)4-5-17-8-11/h17H,2-8H2,1H3,(H2,16,19)
InChIKeyQYGZUMFDFXMFJW-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.64
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709515) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709515
Molecular FormulaC12H20F3N3O2
Molecular Weight295.30 g/mol
Exact Mass295.15
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H20F3N3O2/c1-2-3-6-18(7-9(16)19)10(20)11(12(13,14)15)4-5-17-8-11/h17H,2-8H2,1H3,(H2,16,19)
InChIKeyQYGZUMFDFXMFJW-UHFFFAOYSA-N
XLogP0.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709515) is N-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCCCN(CC(N)=O)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is QYGZUMFDFXMFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-2-3-6-18(7-9(16)19)10(20)11(12(13,14)15)4-5-17-8-11/h17H,2-8H2,1H3,(H2,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).