3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide

C14H19F2NO3 — CID 103208632

IUPAC3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)CCOCC(F)F
InChIInChI=1S/C14H19F2NO3/c1-10(11-3-5-12(18)6-4-11)17(2)14(19)7-8-20-9-13(15)16/h3-6,10,13,18H,7-9H2,1-2H3
InChIKeyLVHFHOFSEJELLE-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.58
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide

3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide (PubChem CID 103208632) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide
PubChem CID103208632
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)CCOCC(F)F
InChIInChI=1S/C14H19F2NO3/c1-10(11-3-5-12(18)6-4-11)17(2)14(19)7-8-20-9-13(15)16/h3-6,10,13,18H,7-9H2,1-2H3
InChIKeyLVHFHOFSEJELLE-UHFFFAOYSA-N
XLogP2.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Butyl-3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4,5-dihydroisoindol-1-one
CID 168875449
Acetamide, N-[1-(4-hydroxyphenyl)ethyl]-
CID 4917415
N-[1-(4-hydroxyphenyl)propan-2-yl]-3-methoxypropanamide
CID 75384506
2-butan-2-yloxy-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
CID 75387490
2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide
CID 10587477
2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)ethyl]acetamide
CID 144603194
Methyl 3-[2-(4-hydroxyphenyl)ethyl-(2,2,2-trifluoroacetyl)amino]propanoate
CID 23121670
Acetamide, 2,2,2-trifluoro-N-[(4-hydroxyphenyl)methyl]-
CID 57656322
2,2,2-trifluoro-N-[1-(3-hydroxyphenyl)butyl]-N-propan-2-ylacetamide
CID 60048551
2,2,2-trifluoro-N-[(2S)-1-(3-hydroxyphenyl)propan-2-yl]-N-methylacetamide
CID 87507009
Ethyl 3-(4-hydroxyphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 88559121
2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide
CID 89232385

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide (CID 103208632) is 3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide is CC(c1ccc(O)cc1)N(C)C(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide?
The InChIKey is LVHFHOFSEJELLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-10(11-3-5-12(18)6-4-11)17(2)14(19)7-8-20-9-13(15)16/h3-6,10,13,18H,7-9H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide?
3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide has a molecular weight of 287.31 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 103208632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).