2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid

C24H23NO6 — CID 56639844

IUPAC2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid
SMILESCO/N=C(\OCc1ccc(COc2ccc(OCC(=O)O)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H23NO6/c1-28-25-24(20-5-3-2-4-6-20)31-16-19-9-7-18(8-10-19)15-29-21-11-13-22(14-12-21)30-17-23(26)27/h2-14H,15-17H2,1H3,(H,26,27)/b25-24-
InChIKeyIZISRVDOVZKQBV-IZHYLOQSSA-N
MW421.45 g/mol
LogP4.25
Rot. Bonds10

About 2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid

2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid (PubChem CID 56639844) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid
PubChem CID56639844
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid
SMILESCO/N=C(\OCc1ccc(COc2ccc(OCC(=O)O)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H23NO6/c1-28-25-24(20-5-3-2-4-6-20)31-16-19-9-7-18(8-10-19)15-29-21-11-13-22(14-12-21)30-17-23(26)27/h2-14H,15-17H2,1H3,(H,26,27)/b25-24-
InChIKeyIZISRVDOVZKQBV-IZHYLOQSSA-N
XLogP4.25
TPSA86.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-methoxy-2-[4-(phenoxymethyl)phenoxy]-1-phenylethanimine
CID 141330759
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-phenylpropanoic acid
CID 56639772
benzyl 3-amino-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 88582976
3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]butanoic acid
CID 88581379
methyl 3-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoate
CID 86695725
3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640142
ethyl 3-[4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]prop-2-enoate
CID 123759809
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
3-[2-cyano-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640209
(3Z)-3-[4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]-3-[(3E)-penta-1,3-dien-3-yl]oxyiminopropanoic acid
CID 88581465
ethyl 3-[2-hydroxy-4-[[4-(2-methoxyimino-2-phenylethoxy)phenyl]methoxy]phenyl]propanoate
CID 123239320
3-cyano-3-[4-[[4-[(2E)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]-2-methylphenyl]propanoic acid
CID 86695752

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid (CID 56639844) is 2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid is CO/N=C(\OCc1ccc(COc2ccc(OCC(=O)O)cc2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid?
The InChIKey is IZISRVDOVZKQBV-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H23NO6/c1-28-25-24(20-5-3-2-4-6-20)31-16-19-9-7-18(8-10-19)15-29-21-11-13-22(14-12-21)30-17-23(26)27/h2-14H,15-17H2,1H3,(H,26,27)/b25-24-.
What are the key properties of 2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid?
2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid has a molecular weight of 421.45 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[(Z)-N-methoxy-C-phenylcarbonimidoyl]oxymethyl]phenyl]methoxy]phenoxy]acetic acid is sourced from PubChem (CID 56639844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).