N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide

C16H25FN2O3 — CID 110882203

IUPACN-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O3/c1-16(2,3)18-15(21)10-19(4)9-13(20)11-22-14-7-5-12(17)6-8-14/h5-8,13,20H,9-11H2,1-4H3,(H,18,21)
InChIKeyAKOMTPATUHXQGF-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.41
Rot. Bonds7

About N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide

N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide (PubChem CID 110882203) has the molecular formula C16H25FN2O3 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
PubChem CID110882203
Molecular FormulaC16H25FN2O3
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC NameN-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O3/c1-16(2,3)18-15(21)10-19(4)9-13(20)11-22-14-7-5-12(17)6-8-14/h5-8,13,20H,9-11H2,1-4H3,(H,18,21)
InChIKeyAKOMTPATUHXQGF-UHFFFAOYSA-N
XLogP1.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
CID 26005266
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide
CID 111635190
N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide
CID 110882196
2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32530996
N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 111564900
N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide
CID 110901959
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
CID 110888444
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110019576
(2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide
CID 111544161
3-(4-fluorophenyl)-1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 60526456
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide (CID 110882203) is N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)CC(O)COc1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide?
The InChIKey is AKOMTPATUHXQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3/c1-16(2,3)18-15(21)10-19(4)9-13(20)11-22-14-7-5-12(17)6-8-14/h5-8,13,20H,9-11H2,1-4H3,(H,18,21).
What are the key properties of N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide?
N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide has a molecular weight of 312.38 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide is sourced from PubChem (CID 110882203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).