N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide

C16H24F2N2O3 — CID 110901959

IUPACN-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H24F2N2O3/c1-16(2,3)19-14(22)10-20(4)9-13(21)11-5-7-12(8-6-11)23-15(17)18/h5-8,13,15,21H,9-10H2,1-4H3,(H,19,22)
InChIKeyHMVGMLHEGFSJSP-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.17
Rot. Bonds7

About N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide (PubChem CID 110901959) has the molecular formula C16H24F2N2O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide
PubChem CID110901959
Molecular FormulaC16H24F2N2O3
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC NameN-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H24F2N2O3/c1-16(2,3)19-14(22)10-20(4)9-13(21)11-5-7-12(8-6-11)23-15(17)18/h5-8,13,15,21H,9-10H2,1-4H3,(H,19,22)
InChIKeyHMVGMLHEGFSJSP-UHFFFAOYSA-N
XLogP2.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
CID 110882203
2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol
CID 111114250
N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 111564900
N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide
CID 111462190
2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide
CID 111424720
1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 110901978
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9023731
2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid
CID 82216044
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
CID 166194503
1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158840

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide (CID 110901959) is N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)CC(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide?
The InChIKey is HMVGMLHEGFSJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3/c1-16(2,3)19-14(22)10-20(4)9-13(21)11-5-7-12(8-6-11)23-15(17)18/h5-8,13,15,21H,9-10H2,1-4H3,(H,19,22).
What are the key properties of N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide has a molecular weight of 330.38 g/mol, XLogP of 2.17, 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-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide is sourced from PubChem (CID 110901959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).