3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide

C16H31N3O2 — CID 84591130

IUPAC3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)(C)CNC(=O)C(C)N1C(C)CCC1C
InChIInChI=1S/C16H31N3O2/c1-7-17-15(21)16(5,6)10-18-14(20)13(4)19-11(2)8-9-12(19)3/h11-13H,7-10H2,1-6H3,(H,17,21)(H,18,20)
InChIKeyZILVRDFXAZGRLD-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.53
Rot. Bonds6

About 3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide

3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide (PubChem CID 84591130) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide
PubChem CID84591130
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)(C)CNC(=O)C(C)N1C(C)CCC1C
InChIInChI=1S/C16H31N3O2/c1-7-17-15(21)16(5,6)10-18-14(20)13(4)19-11(2)8-9-12(19)3/h11-13H,7-10H2,1-6H3,(H,17,21)(H,18,20)
InChIKeyZILVRDFXAZGRLD-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide?
The IUPAC name of 3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide (CID 84591130) is 3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide?
The canonical SMILES for 3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide is CCNC(=O)C(C)(C)CNC(=O)C(C)N1C(C)CCC1C.
What is the InChIKey of 3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide?
The InChIKey is ZILVRDFXAZGRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-7-17-15(21)16(5,6)10-18-14(20)13(4)19-11(2)8-9-12(19)3/h11-13H,7-10H2,1-6H3,(H,17,21)(H,18,20).
What are the key properties of 3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide?
3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide has a molecular weight of 297.44 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide is sourced from PubChem (CID 84591130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).