3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide

C13H24F2N2O2 — CID 106610729

IUPAC3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCCCN(CC1CCCN1)C(=O)CCOCC(F)F
InChIInChI=1S/C13H24F2N2O2/c1-2-7-17(9-11-4-3-6-16-11)13(18)5-8-19-10-12(14)15/h11-12,16H,2-10H2,1H3
InChIKeyWNSRGBVJLLWFRG-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.65
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide

3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 106610729) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID106610729
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Name3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCCCN(CC1CCCN1)C(=O)CCOCC(F)F
InChIInChI=1S/C13H24F2N2O2/c1-2-7-17(9-11-4-3-6-16-11)13(18)5-8-19-10-12(14)15/h11-12,16H,2-10H2,1H3
InChIKeyWNSRGBVJLLWFRG-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-2-ylmethyl)propanamide
CID 106626231
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
N-(2-methylpropyl)-3-propoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611256
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
2,2-difluoro-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625526
N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106610292
3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide
CID 103206370
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
N,2-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanamide
CID 106610385
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106612458

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide (CID 106610729) is 3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide is CCCN(CC1CCCN1)C(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is WNSRGBVJLLWFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-2-7-17(9-11-4-3-6-16-11)13(18)5-8-19-10-12(14)15/h11-12,16H,2-10H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide?
3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 278.34 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 106610729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).