2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide

C14H21FN2O3 — CID 107721043

IUPAC2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C(C)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O3/c1-10(12-5-4-11(18)8-13(12)15)17(2)9-14(19)16-6-7-20-3/h4-5,8,10,18H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyUBVBOHYRAHZMMH-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.29
Rot. Bonds7

About 2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide

2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 107721043) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID107721043
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C(C)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O3/c1-10(12-5-4-11(18)8-13(12)15)17(2)9-14(19)16-6-7-20-3/h4-5,8,10,18H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyUBVBOHYRAHZMMH-UHFFFAOYSA-N
XLogP1.29
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 107721043) is 2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)C(C)c1ccc(O)cc1F.
What is the InChIKey of 2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is UBVBOHYRAHZMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-10(12-5-4-11(18)8-13(12)15)17(2)9-14(19)16-6-7-20-3/h4-5,8,10,18H,6-7,9H2,1-3H3,(H,16,19).
What are the key properties of 2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide?
2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 284.33 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 107721043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).