2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

C19H20N2O5 — CID 6910990

IUPAC2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCc1cc(C)cc(OCC(=O)N/N=C/c2ccccc2OCC(=O)O)c1
InChIInChI=1S/C19H20N2O5/c1-13-7-14(2)9-16(8-13)25-11-18(22)21-20-10-15-5-3-4-6-17(15)26-12-19(23)24/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)/b20-10+
InChIKeyQOBCJPMRYHHMPP-KEBDBYFISA-N
MW356.38 g/mol
LogP2.30
Rot. Bonds8

About 2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 6910990) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID6910990
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCc1cc(C)cc(OCC(=O)N/N=C/c2ccccc2OCC(=O)O)c1
InChIInChI=1S/C19H20N2O5/c1-13-7-14(2)9-16(8-13)25-11-18(22)21-20-10-15-5-3-4-6-17(15)26-12-19(23)24/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)/b20-10+
InChIKeyQOBCJPMRYHHMPP-KEBDBYFISA-N
XLogP2.30
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 805205
2-[2-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104419
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
2-[2-[[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1244956
2-(3,5-dimethylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966519
2-(3,4-dimethylphenoxy)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 9316184
2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5131254
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2,4,6-trimethylphenoxy)acetamide
CID 5407844
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5419126
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 1249215
N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 5497349
2-(2,4-dimethylphenoxy)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6891509

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 6910990) is 2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is Cc1cc(C)cc(OCC(=O)N/N=C/c2ccccc2OCC(=O)O)c1.
What is the InChIKey of 2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is QOBCJPMRYHHMPP-KEBDBYFISA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13-7-14(2)9-16(8-13)25-11-18(22)21-20-10-15-5-3-4-6-17(15)26-12-19(23)24/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)/b20-10+.
What are the key properties of 2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 356.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 6910990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).