2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid

C25H26N2O4 — CID 173169320

IUPAC2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid
SMILESCCCC(=NOCCOc1cccc(CC(=O)O)c1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-6-24(21-12-10-20(11-13-21)23-9-3-4-14-26-23)27-31-16-15-30-22-8-5-7-19(17-22)18-25(28)29/h3-5,7-14,17H,2,6,15-16,18H2,1H3,(H,28,29)
InChIKeyPWIXNUFZJBJHQT-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.98
Rot. Bonds11

About 2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid

2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid (PubChem CID 173169320) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid
PubChem CID173169320
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid
SMILESCCCC(=NOCCOc1cccc(CC(=O)O)c1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-6-24(21-12-10-20(11-13-21)23-9-3-4-14-26-23)27-31-16-15-30-22-8-5-7-19(17-22)18-25(28)29/h3-5,7-14,17H,2,6,15-16,18H2,1H3,(H,28,29)
InChIKeyPWIXNUFZJBJHQT-UHFFFAOYSA-N
XLogP4.98
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[2-[(E)-1-(4-pyrazol-1-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834561
2-[3-[2-[(E)-1-(4-pyridin-4-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834088
2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169563
2-[3-[2-[(E)-1-[4-(trifluoromethyl)phenyl]pentylideneamino]oxyethoxy]phenyl]acetic acid
CID 141100553
2-[3-[2-[(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87833804
2-[3-[2-[(E)-1-[4-(2-methoxyphenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834265
2-[3-[2-[1-[4-(2-methoxyphenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169351
2-[2-fluoro-3-[2-[1-(4-pyridin-2-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 85115675
2-[3-[2-[[2-cyclobutyl-1-(4-phenylphenyl)ethylidene]amino]oxyethoxy]phenyl]acetic acid
CID 173169257
2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834274
2-[2-fluoro-5-[2-[1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169552
2-[3-[2-propoxyimino-2-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethoxy]phenyl]acetic acid
CID 73319966

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid (CID 173169320) is 2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid is CCCC(=NOCCOc1cccc(CC(=O)O)c1)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid?
The InChIKey is PWIXNUFZJBJHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-6-24(21-12-10-20(11-13-21)23-9-3-4-14-26-23)27-31-16-15-30-22-8-5-7-19(17-22)18-25(28)29/h3-5,7-14,17H,2,6,15-16,18H2,1H3,(H,28,29).
What are the key properties of 2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid?
2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid has a molecular weight of 418.49 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid is sourced from PubChem (CID 173169320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).