N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide

C15H22FNO3 — CID 65113929

IUPACN-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide
SMILESCCC(O)(CC)CNC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C15H22FNO3/c1-4-15(19,5-2)10-17-14(18)11(3)20-13-8-6-7-12(16)9-13/h6-9,11,19H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyDZTSLHKWJJZMAV-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.26
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide

N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide (PubChem CID 65113929) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide
PubChem CID65113929
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide
SMILESCCC(O)(CC)CNC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C15H22FNO3/c1-4-15(19,5-2)10-17-14(18)11(3)20-13-8-6-7-12(16)9-13/h6-9,11,19H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyDZTSLHKWJJZMAV-UHFFFAOYSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide (CID 65113929) is N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide is CCC(O)(CC)CNC(=O)C(C)Oc1cccc(F)c1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide?
The InChIKey is DZTSLHKWJJZMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-4-15(19,5-2)10-17-14(18)11(3)20-13-8-6-7-12(16)9-13/h6-9,11,19H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide?
N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide has a molecular weight of 283.34 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 65113929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).