2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide

C13H23N3O2 — CID 162792772

IUPAC2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)N1CCCC1C(=O)N1CCC1
InChIInChI=1S/C13H23N3O2/c1-13(2,12(18)14-3)16-9-4-6-10(16)11(17)15-7-5-8-15/h10H,4-9H2,1-3H3,(H,14,18)
InChIKeyPIQMGWWLMPLGBH-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.21
Rot. Bonds3

About 2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide

2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide (PubChem CID 162792772) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide
PubChem CID162792772
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)N1CCCC1C(=O)N1CCC1
InChIInChI=1S/C13H23N3O2/c1-13(2,12(18)14-3)16-9-4-6-10(16)11(17)15-7-5-8-15/h10H,4-9H2,1-3H3,(H,14,18)
InChIKeyPIQMGWWLMPLGBH-UHFFFAOYSA-N
XLogP0.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide (CID 162792772) is 2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide is CNC(=O)C(C)(C)N1CCCC1C(=O)N1CCC1.
What is the InChIKey of 2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide?
The InChIKey is PIQMGWWLMPLGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2,12(18)14-3)16-9-4-6-10(16)11(17)15-7-5-8-15/h10H,4-9H2,1-3H3,(H,14,18).
What are the key properties of 2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide?
2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide has a molecular weight of 253.35 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 162792772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).