2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide

C18H27FN2O2 — CID 75423099

IUPAC2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide
SMILESCC(CNC(=O)C(C)N1C(C)CCC1C)Oc1ccccc1F
InChIInChI=1S/C18H27FN2O2/c1-12-9-10-13(2)21(12)15(4)18(22)20-11-14(3)23-17-8-6-5-7-16(17)19/h5-8,12-15H,9-11H2,1-4H3,(H,20,22)
InChIKeyVSYJNGNCOOSWNK-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.97
Rot. Bonds6

About 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide

2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide (PubChem CID 75423099) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide
PubChem CID75423099
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide
SMILESCC(CNC(=O)C(C)N1C(C)CCC1C)Oc1ccccc1F
InChIInChI=1S/C18H27FN2O2/c1-12-9-10-13(2)21(12)15(4)18(22)20-11-14(3)23-17-8-6-5-7-16(17)19/h5-8,12-15H,9-11H2,1-4H3,(H,20,22)
InChIKeyVSYJNGNCOOSWNK-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
N-[2-(2-fluorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335715
N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111502101
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide
CID 98852588
(3S)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95968684
(3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95968686
9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991075
1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea
CID 111508672
1-[2-(2-fluorophenoxy)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619056
(2R)-2-[3-(2-fluorophenoxy)azetidin-1-yl]-N-(2-methylpropyl)propanamide
CID 125169498
N-[2-(2-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804852
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide?
The IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide (CID 75423099) is 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide?
The canonical SMILES for 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide is CC(CNC(=O)C(C)N1C(C)CCC1C)Oc1ccccc1F.
What is the InChIKey of 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide?
The InChIKey is VSYJNGNCOOSWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-12-9-10-13(2)21(12)15(4)18(22)20-11-14(3)23-17-8-6-5-7-16(17)19/h5-8,12-15H,9-11H2,1-4H3,(H,20,22).
What are the key properties of 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide?
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide has a molecular weight of 322.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide is sourced from PubChem (CID 75423099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).