2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid

C24H22N2O6 — CID 126329068

IUPAC2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1cc(C(=O)N/N=C/c2cccc(OCC(=O)O)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H22N2O6/c1-30-22-13-19(10-11-21(22)32-15-17-6-3-2-4-7-17)24(29)26-25-14-18-8-5-9-20(12-18)31-16-23(27)28/h2-14H,15-16H2,1H3,(H,26,29)(H,27,28)/b25-14+
InChIKeyLUPHCKWLGNJVDV-AFUMVMLFSA-N
MW434.45 g/mol
LogP3.50
Rot. Bonds10

About 2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 126329068) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID126329068
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCOc1cc(C(=O)N/N=C/c2cccc(OCC(=O)O)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H22N2O6/c1-30-22-13-19(10-11-21(22)32-15-17-6-3-2-4-7-17)24(29)26-25-14-18-8-5-9-20(12-18)31-16-23(27)28/h2-14H,15-16H2,1H3,(H,26,29)(H,27,28)/b25-14+
InChIKeyLUPHCKWLGNJVDV-AFUMVMLFSA-N
XLogP3.50
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
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

N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126321572
N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329870
4-[[3-[(E)-[(3-methoxy-4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126307230
4-ethoxy-N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126315816
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
2-[3-[(Z)-[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 6310576
N-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 137160378
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
3-ethoxy-4-phenylmethoxy-N-[(E)-(3-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 126326615
N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126324774
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 126320551

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 126329068) is 2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is COc1cc(C(=O)N/N=C/c2cccc(OCC(=O)O)c2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is LUPHCKWLGNJVDV-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H22N2O6/c1-30-22-13-19(10-11-21(22)32-15-17-6-3-2-4-7-17)24(29)26-25-14-18-8-5-9-20(12-18)31-16-23(27)28/h2-14H,15-16H2,1H3,(H,26,29)(H,27,28)/b25-14+.
What are the key properties of 2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 434.45 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 126329068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).