N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide

C20H24FNO3 — CID 133211115

IUPACN-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide
SMILESCCc1ccc(OCCNC(=O)C(CC)Oc2ccccc2F)cc1
InChIInChI=1S/C20H24FNO3/c1-3-15-9-11-16(12-10-15)24-14-13-22-20(23)18(4-2)25-19-8-6-5-7-17(19)21/h5-12,18H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyAIPYLLPZNKPNSN-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.74
Rot. Bonds9

About N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide

N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide (PubChem CID 133211115) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide
PubChem CID133211115
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide
SMILESCCc1ccc(OCCNC(=O)C(CC)Oc2ccccc2F)cc1
InChIInChI=1S/C20H24FNO3/c1-3-15-9-11-16(12-10-15)24-14-13-22-20(23)18(4-2)25-19-8-6-5-7-17(19)21/h5-12,18H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyAIPYLLPZNKPNSN-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.74
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

2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211113
2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255707
N-(4-ethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 53286461
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 99818320
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211089
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133239906
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide
CID 133239975
N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133240085

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide (CID 133211115) is N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide is CCc1ccc(OCCNC(=O)C(CC)Oc2ccccc2F)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide?
The InChIKey is AIPYLLPZNKPNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-3-15-9-11-16(12-10-15)24-14-13-22-20(23)18(4-2)25-19-8-6-5-7-17(19)21/h5-12,18H,3-4,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide?
N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide has a molecular weight of 345.41 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 133211115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).