(2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide

C15H22FNO3 — CID 126423069

IUPAC(2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide
SMILESCCO[C@H](C)C(=O)N(C)CCCOc1ccccc1F
InChIInChI=1S/C15H22FNO3/c1-4-19-12(2)15(18)17(3)10-7-11-20-14-9-6-5-8-13(14)16/h5-6,8-9,12H,4,7,10-11H2,1-3H3/t12-/m1/s1
InChIKeyUMBZMGNUUXTGNA-GFCCVEGCSA-N
MW283.34 g/mol
LogP2.48
Rot. Bonds8

About (2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide

(2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide (PubChem CID 126423069) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide
PubChem CID126423069
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name(2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide
SMILESCCO[C@H](C)C(=O)N(C)CCCOc1ccccc1F
InChIInChI=1S/C15H22FNO3/c1-4-19-12(2)15(18)17(3)10-7-11-20-14-9-6-5-8-13(14)16/h5-6,8-9,12H,4,7,10-11H2,1-3H3/t12-/m1/s1
InChIKeyUMBZMGNUUXTGNA-GFCCVEGCSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368341
3-[2-(2-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989857
N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584118
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
CID 2935506
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
2-ethoxy-N-methyl-N-propylpropanamide
CID 145156816
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
CID 43092345
N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide
CID 60554110

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide (CID 126423069) is (2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide is CCO[C@H](C)C(=O)N(C)CCCOc1ccccc1F.
What is the InChIKey of (2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide?
The InChIKey is UMBZMGNUUXTGNA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-4-19-12(2)15(18)17(3)10-7-11-20-14-9-6-5-8-13(14)16/h5-6,8-9,12H,4,7,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide?
(2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide has a molecular weight of 283.34 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide is sourced from PubChem (CID 126423069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).