2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid

C19H21NO4 — CID 87834274

IUPAC2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid
SMILESC/C(=N\OCCOc1cccc(CC(=O)O)c1)c1ccc(C)cc1
InChIInChI=1S/C19H21NO4/c1-14-6-8-17(9-7-14)15(2)20-24-11-10-23-18-5-3-4-16(12-18)13-19(21)22/h3-9,12H,10-11,13H2,1-2H3,(H,21,22)/b20-15+
InChIKeyXRBZOVCGPNWPKD-HMMYKYKNSA-N
MW327.38 g/mol
LogP3.44
Rot. Bonds8

About 2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid

2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid (PubChem CID 87834274) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid
PubChem CID87834274
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid
SMILESC/C(=N\OCCOc1cccc(CC(=O)O)c1)c1ccc(C)cc1
InChIInChI=1S/C19H21NO4/c1-14-6-8-17(9-7-14)15(2)20-24-11-10-23-18-5-3-4-16(12-18)13-19(21)22/h3-9,12H,10-11,13H2,1-2H3,(H,21,22)/b20-15+
InChIKeyXRBZOVCGPNWPKD-HMMYKYKNSA-N
XLogP3.44
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pyridin-4-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834088
sodium 2-[3-[3-[bis(4-methylphenyl)methylideneamino]oxypropoxy]phenyl]acetate
CID 140517190
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-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169320
2-[3-[2-[[2-cyclobutyl-1-(4-phenylphenyl)ethylidene]amino]oxyethoxy]phenyl]acetic acid
CID 173169257
2-[3-[4-[(E)-C-methyl-N-[(4-phenylphenyl)methoxy]carbonimidoyl]phenyl]phenyl]acetic acid
CID 59219180
2-[3-[2-[(E)-1-[4-(trifluoromethyl)phenyl]pentylideneamino]oxyethoxy]phenyl]acetic acid
CID 141100553
2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169563
2-[3-[2-[(E)-1-(4-pyrazol-1-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834561
2-(3-octoxyphenyl)acetic acid
CID 11975056

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid (CID 87834274) is 2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid is C/C(=N\OCCOc1cccc(CC(=O)O)c1)c1ccc(C)cc1.
What is the InChIKey of 2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid?
The InChIKey is XRBZOVCGPNWPKD-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14-6-8-17(9-7-14)15(2)20-24-11-10-23-18-5-3-4-16(12-18)13-19(21)22/h3-9,12H,10-11,13H2,1-2H3,(H,21,22)/b20-15+.
What are the key properties of 2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid?
2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid is sourced from PubChem (CID 87834274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).