3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide

C15H23FN2O3 — CID 104580081

IUPAC3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCC(O)COCc1ccccc1F
InChIInChI=1S/C15H23FN2O3/c1-15(2,7-14(17)20)18-8-12(19)10-21-9-11-5-3-4-6-13(11)16/h3-6,12,18-19H,7-10H2,1-2H3,(H2,17,20)
InChIKeyAHDAFJABHSQEIV-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.95
Rot. Bonds9

About 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide

3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide (PubChem CID 104580081) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide
PubChem CID104580081
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCC(O)COCc1ccccc1F
InChIInChI=1S/C15H23FN2O3/c1-15(2,7-14(17)20)18-8-12(19)10-21-9-11-5-3-4-6-13(11)16/h3-6,12,18-19H,7-10H2,1-2H3,(H2,17,20)
InChIKeyAHDAFJABHSQEIV-UHFFFAOYSA-N
XLogP0.95
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol
CID 103950075
2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol
CID 4834530
1-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 65107673
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296
3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide
CID 104580472
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
CID 60649043
1-[(2-fluorophenyl)methoxy]-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632244
3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
CID 104580249
1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62642322
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide (CID 104580081) is 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide is CC(C)(CC(N)=O)NCC(O)COCc1ccccc1F.
What is the InChIKey of 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide?
The InChIKey is AHDAFJABHSQEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-15(2,7-14(17)20)18-8-12(19)10-21-9-11-5-3-4-6-13(11)16/h3-6,12,18-19H,7-10H2,1-2H3,(H2,17,20).
What are the key properties of 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide?
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide has a molecular weight of 298.36 g/mol, XLogP of 0.95, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide is sourced from PubChem (CID 104580081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).