(2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide

C15H23FN2O3 — CID 111544161

IUPAC(2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NCC(O)COc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C15H23FN2O3/c1-15(2,3)13(14(17)20)18-8-11(19)9-21-12-6-4-10(16)5-7-12/h4-7,11,13,18-19H,8-9H2,1-3H3,(H2,17,20)/t11?,13-/m1/s1
InChIKeyWOCIWNVTBSLDCG-GLGOKHISSA-N
MW298.36 g/mol
LogP1.05
Rot. Bonds7

About (2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide

(2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide (PubChem CID 111544161) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is (2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide
PubChem CID111544161
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name(2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NCC(O)COc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C15H23FN2O3/c1-15(2,3)13(14(17)20)18-8-11(19)9-21-12-6-4-10(16)5-7-12/h4-7,11,13,18-19H,8-9H2,1-3H3,(H2,17,20)/t11?,13-/m1/s1
InChIKeyWOCIWNVTBSLDCG-GLGOKHISSA-N
XLogP1.05
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938620
1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609743
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106276848
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
CID 111883336
1-(2,2-dimethylbutylamino)-3-(4-fluorophenoxy)propan-2-ol
CID 103698735

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide (CID 111544161) is (2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide is CC(C)(C)[C@H](NCC(O)COc1ccc(F)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide?
The InChIKey is WOCIWNVTBSLDCG-GLGOKHISSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-15(2,3)13(14(17)20)18-8-11(19)9-21-12-6-4-10(16)5-7-12/h4-7,11,13,18-19H,8-9H2,1-3H3,(H2,17,20)/t11?,13-/m1/s1.
What are the key properties of (2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide?
(2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide has a molecular weight of 298.36 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide is sourced from PubChem (CID 111544161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).