N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H20F3N3O — CID 63710060

IUPACN-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(CNC(=O)C1(C(F)(F)F)CCNC1)N(C)C
InChIInChI=1S/C11H20F3N3O/c1-8(17(2)3)6-16-9(18)10(11(12,13)14)4-5-15-7-10/h8,15H,4-7H2,1-3H3,(H,16,18)
InChIKeyUHWDBFYXZGLSTR-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.59
Rot. Bonds4

About N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710060) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710060
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC NameN-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(CNC(=O)C1(C(F)(F)F)CCNC1)N(C)C
InChIInChI=1S/C11H20F3N3O/c1-8(17(2)3)6-16-9(18)10(11(12,13)14)4-5-15-7-10/h8,15H,4-7H2,1-3H3,(H,16,18)
InChIKeyUHWDBFYXZGLSTR-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710060) is N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(CNC(=O)C1(C(F)(F)F)CCNC1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is UHWDBFYXZGLSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-8(17(2)3)6-16-9(18)10(11(12,13)14)4-5-15-7-10/h8,15H,4-7H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).