(2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide

C13H19FN2O2 — CID 164740916

IUPAC(2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide
SMILESCCN[C@H](OCc1ccc(F)cc1)[C@@H](C)C(N)=O
InChIInChI=1S/C13H19FN2O2/c1-3-16-13(9(2)12(15)17)18-8-10-4-6-11(14)7-5-10/h4-7,9,13,16H,3,8H2,1-2H3,(H2,15,17)/t9-,13+/m0/s1
InChIKeyFZIOFSGNUQVGFA-TVQRCGJNSA-N
MW254.30 g/mol
LogP1.40
Rot. Bonds7

About (2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide

(2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide (PubChem CID 164740916) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is (2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide.

Molecular Properties

Compound Name(2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide
PubChem CID164740916
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name(2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide
SMILESCCN[C@H](OCc1ccc(F)cc1)[C@@H](C)C(N)=O
InChIInChI=1S/C13H19FN2O2/c1-3-16-13(9(2)12(15)17)18-8-10-4-6-11(14)7-5-10/h4-7,9,13,16H,3,8H2,1-2H3,(H2,15,17)/t9-,13+/m0/s1
InChIKeyFZIOFSGNUQVGFA-TVQRCGJNSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenyl)methoxy]pent-4-enamide
CID 90939043
(2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide
CID 141217094
(4-fluorophenyl)methyl (2R)-2-aminopropanoate
CID 94254370
(4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate
CID 57047709
(4-fluorophenyl)methyl acetate
CID 14793785
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 103250419
(4-fluorophenyl)methyl 2-amino-4-methylpentanoate
CID 112510164
carbamothioic S-acid;O-[(4-fluorophenyl)methyl] N,N-di(butan-2-yl)carbamothioate
CID 88834401
[(2S,3S)-1-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 8942230
(4-fluorophenyl)methyl N-aminocarbamate
CID 131187793
ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate
CID 55141490

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide?
The IUPAC name of (2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide (CID 164740916) is (2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide.
What is the SMILES notation for (2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide?
The canonical SMILES for (2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide is CCN[C@H](OCc1ccc(F)cc1)[C@@H](C)C(N)=O.
What is the InChIKey of (2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide?
The InChIKey is FZIOFSGNUQVGFA-TVQRCGJNSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-16-13(9(2)12(15)17)18-8-10-4-6-11(14)7-5-10/h4-7,9,13,16H,3,8H2,1-2H3,(H2,15,17)/t9-,13+/m0/s1.
What are the key properties of (2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide?
(2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide has a molecular weight of 254.30 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(ethylamino)-3-[(4-fluorophenyl)methoxy]-2-methylpropanamide is sourced from PubChem (CID 164740916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).