3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide

C26H28FNO4 — CID 140974164

IUPAC3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide
SMILESCCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccccc1CCC(N)=O
InChIInChI=1S/C26H28FNO4/c1-2-18-16-22(19-8-11-21(27)12-9-19)23(29)17-25(18)32-15-5-14-31-24-7-4-3-6-20(24)10-13-26(28)30/h3-4,6-9,11-12,16-17,29H,2,5,10,13-15H2,1H3,(H2,28,30)
InChIKeyPBARYRBFUMRPFI-UHFFFAOYSA-N
MW437.51 g/mol
LogP5.03
Rot. Bonds11

About 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide

3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide (PubChem CID 140974164) has the molecular formula C26H28FNO4 and a molecular weight of 437.51 g/mol. Its IUPAC name is 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide
PubChem CID140974164
Molecular FormulaC26H28FNO4
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide
SMILESCCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccccc1CCC(N)=O
InChIInChI=1S/C26H28FNO4/c1-2-18-16-22(19-8-11-21(27)12-9-19)23(29)17-25(18)32-15-5-14-31-24-7-4-3-6-20(24)10-13-26(28)30/h3-4,6-9,11-12,16-17,29H,2,5,10,13-15H2,1H3,(H2,28,30)
InChIKeyPBARYRBFUMRPFI-UHFFFAOYSA-N
XLogP5.03
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 55.03
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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Related Compounds

4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol
CID 10695364
5-[2-(2-carboxyethyl)-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]pentanoic acid
CID 10554772
methyl 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-6-hydroxyphenyl]propanoate
CID 19375778
3-[2-[3-[2-bromo-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanoic acid
CID 19375837
3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-6-[4-(2H-tetrazol-5-yl)butoxy]phenyl]propanoic acid
CID 10793318
2-[[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenyl]methyl]benzoic acid
CID 10745069
methyl 2-[[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenyl]methyl]benzoate
CID 10721539
2-[3-[4-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]butoxy]-2-propylphenoxy]benzoic acid
CID 10578750
methyl 2-[3-[5-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]pentoxy]-2-propylphenoxy]benzoate
CID 10579225
4-(2-ethylphenoxy)butanamide
CID 82040636
5-[2-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]propoxy]phenyl]ethyl]-2H-tetrazole
CID 10840451
ethyl 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]propoxy]-6-[4-(2H-tetrazol-5-yl)butoxy]phenyl]propanoate
CID 11802820

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide?
The IUPAC name of 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide (CID 140974164) is 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide.
What is the SMILES notation for 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide?
The canonical SMILES for 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide is CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccccc1CCC(N)=O.
What is the InChIKey of 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide?
The InChIKey is PBARYRBFUMRPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO4/c1-2-18-16-22(19-8-11-21(27)12-9-19)23(29)17-25(18)32-15-5-14-31-24-7-4-3-6-20(24)10-13-26(28)30/h3-4,6-9,11-12,16-17,29H,2,5,10,13-15H2,1H3,(H2,28,30).
What are the key properties of 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide?
3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide has a molecular weight of 437.51 g/mol, XLogP of 5.03, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide is sourced from PubChem (CID 140974164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).