3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide

C12H24N2O — CID 166035351

IUPAC3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCN1CCC[C@H]1CC
InChIInChI=1S/C12H24N2O/c1-3-8-13-12(15)7-10-14-9-5-6-11(14)4-2/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyMIKLAUPCXAXAKY-LLVKDONJSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds6

About 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide

3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide (PubChem CID 166035351) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide
PubChem CID166035351
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCN1CCC[C@H]1CC
InChIInChI=1S/C12H24N2O/c1-3-8-13-12(15)7-10-14-9-5-6-11(14)4-2/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyMIKLAUPCXAXAKY-LLVKDONJSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide?
The IUPAC name of 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide (CID 166035351) is 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide?
The canonical SMILES for 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide is CCCNC(=O)CCN1CCC[C@H]1CC.
What is the InChIKey of 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide?
The InChIKey is MIKLAUPCXAXAKY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-8-13-12(15)7-10-14-9-5-6-11(14)4-2/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m1/s1.
What are the key properties of 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide?
3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide has a molecular weight of 212.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 166035351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).