2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid

C18H20N2O5 — CID 88921453

IUPAC2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid
SMILESCOc1ccc(CON=CCCc2ccc(OCC(=O)O)nc2)cc1
InChIInChI=1S/C18H20N2O5/c1-23-16-7-4-15(5-8-16)12-25-20-10-2-3-14-6-9-17(19-11-14)24-13-18(21)22/h4-11H,2-3,12-13H2,1H3,(H,21,22)
InChIKeySEYFMRISJDZACA-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.69
Rot. Bonds10

About 2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid

2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid (PubChem CID 88921453) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid
PubChem CID88921453
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid
SMILESCOc1ccc(CON=CCCc2ccc(OCC(=O)O)nc2)cc1
InChIInChI=1S/C18H20N2O5/c1-23-16-7-4-15(5-8-16)12-25-20-10-2-3-14-6-9-17(19-11-14)24-13-18(21)22/h4-11H,2-3,12-13H2,1H3,(H,21,22)
InChIKeySEYFMRISJDZACA-UHFFFAOYSA-N
XLogP2.69
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methoxy-2-pyridinyl)oxy]acetic acid
CID 106504767
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
2,6-difluoro-N-[5-[(3E)-3-phenylmethoxyiminopropyl]-2-pyridinyl]benzamide
CID 89156096
N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide
CID 59103977
ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate
CID 75985313
N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide
CID 90021284
(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(4-methoxyphenyl)methoxy]pentan-1-imine
CID 18429732
5-(methoxymethyl)-2-(4-methoxyphenoxy)pyridine
CID 143812983
(E)-1-(4-methoxyphenyl)-N-phenylmethoxymethanimine
CID 11499688
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
1-(6-azaspiro[2.5]octan-6-yl)-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]ethanone
CID 90021177
4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
CID 18139589

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid (CID 88921453) is 2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid is COc1ccc(CON=CCCc2ccc(OCC(=O)O)nc2)cc1.
What is the InChIKey of 2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid?
The InChIKey is SEYFMRISJDZACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-16-7-4-15(5-8-16)12-25-20-10-2-3-14-6-9-17(19-11-14)24-13-18(21)22/h4-11H,2-3,12-13H2,1H3,(H,21,22).
What are the key properties of 2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid?
2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid has a molecular weight of 344.37 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 88921453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).