2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid

C19H20N2O6 — CID 126327597

IUPAC2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)ccc1OC
InChIInChI=1S/C19H20N2O6/c1-3-26-17-10-14(6-9-16(17)25-2)19(24)21-20-11-13-4-7-15(8-5-13)27-12-18(22)23/h4-11H,3,12H2,1-2H3,(H,21,24)(H,22,23)/b20-11+
InChIKeyHQBAHKGCTTUIJM-RGVLZGJSSA-N
MW372.38 g/mol
LogP2.32
Rot. Bonds9

About 2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 126327597) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID126327597
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)ccc1OC
InChIInChI=1S/C19H20N2O6/c1-3-26-17-10-14(6-9-16(17)25-2)19(24)21-20-11-13-4-7-15(8-5-13)27-12-18(22)23/h4-11H,3,12H2,1-2H3,(H,21,24)(H,22,23)/b20-11+
InChIKeyHQBAHKGCTTUIJM-RGVLZGJSSA-N
XLogP2.32
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.32
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)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-ethoxybenzoate
CID 3777566
2-[4-[[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4035546
2-[4-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-ethoxy-6-iodophenoxy]acetic acid
CID 126321569
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 126322648
3-ethoxy-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 126326419
[4-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3514930
3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 126336930
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126322296
3,4-dimethoxy-N-[(E)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]benzamide
CID 94833106
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 126333569

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 126327597) is 2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is CCOc1cc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)ccc1OC.
What is the InChIKey of 2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is HQBAHKGCTTUIJM-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-3-26-17-10-14(6-9-16(17)25-2)19(24)21-20-11-13-4-7-15(8-5-13)27-12-18(22)23/h4-11H,3,12H2,1-2H3,(H,21,24)(H,22,23)/b20-11+.
What are the key properties of 2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 372.38 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 126327597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).