[2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate

C19H20N2O4 — CID 46502149

IUPAC[2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1/C=N/NC(=O)CCOc1ccccc1C
InChIInChI=1S/C19H20N2O4/c1-14-7-3-5-9-17(14)24-12-11-19(23)21-20-13-16-8-4-6-10-18(16)25-15(2)22/h3-10,13H,11-12H2,1-2H3,(H,21,23)/b20-13+
InChIKeyQVZUAOKDAPTALJ-DEDYPNTBSA-N
MW340.38 g/mol
LogP2.84
Rot. Bonds7

About [2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate

[2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate (PubChem CID 46502149) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate
PubChem CID46502149
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1/C=N/NC(=O)CCOc1ccccc1C
InChIInChI=1S/C19H20N2O4/c1-14-7-3-5-9-17(14)24-12-11-19(23)21-20-13-16-8-4-6-10-18(16)25-15(2)22/h3-10,13H,11-12H2,1-2H3,(H,21,23)/b20-13+
InChIKeyQVZUAOKDAPTALJ-DEDYPNTBSA-N
XLogP2.84
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 2251128
[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 5410556
[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate
CID 25251494
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774
N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 6090639
N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 4023878
N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 3634510
N-(2,5-dimethylphenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
CID 5197278
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
[2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3282649
2-[2-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104419

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate (CID 46502149) is [2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate is CC(=O)Oc1ccccc1/C=N/NC(=O)CCOc1ccccc1C.
What is the InChIKey of [2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate?
The InChIKey is QVZUAOKDAPTALJ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-14-7-3-5-9-17(14)24-12-11-19(23)21-20-13-16-8-4-6-10-18(16)25-15(2)22/h3-10,13H,11-12H2,1-2H3,(H,21,23)/b20-13+.
What are the key properties of [2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate?
[2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate has a molecular weight of 340.38 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-[3-(2-methylphenoxy)propanoylhydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 46502149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).