N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide

C20H22FNO4 — CID 21487435

IUPACN-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCOc1ccccc1OCCNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO4/c1-2-25-18-5-3-4-6-19(18)26-14-13-22-20(24)12-11-17(23)15-7-9-16(21)10-8-15/h3-10H,2,11-14H2,1H3,(H,22,24)
InChIKeyDOOMCSOMCWGHJP-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.38
Rot. Bonds10

About N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide

N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 21487435) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID21487435
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC NameN-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCOc1ccccc1OCCNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO4/c1-2-25-18-5-3-4-6-19(18)26-14-13-22-20(24)12-11-17(23)15-7-9-16(21)10-8-15/h3-10H,2,11-14H2,1H3,(H,22,24)
InChIKeyDOOMCSOMCWGHJP-UHFFFAOYSA-N
XLogP3.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-ethoxyphenoxy)ethylamino]-4-oxobutanoate
CID 9156443
N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 38451172
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110618521
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 21487435) is N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide is CCOc1ccccc1OCCNC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is DOOMCSOMCWGHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-2-25-18-5-3-4-6-19(18)26-14-13-22-20(24)12-11-17(23)15-7-9-16(21)10-8-15/h3-10H,2,11-14H2,1H3,(H,22,24).
What are the key properties of N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 359.40 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 21487435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).