ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate

C19H22N2O4 — CID 169383267

IUPACethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate
SMILESCCOC(=O)CCOc1c(C=NNc2ccccc2)cccc1OC
InChIInChI=1S/C19H22N2O4/c1-3-24-18(22)12-13-25-19-15(8-7-11-17(19)23-2)14-20-21-16-9-5-4-6-10-16/h4-11,14,21H,3,12-13H2,1-2H3
InChIKeyTUKKDDDTBLLREU-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.47
Rot. Bonds9

About ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate

ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate (PubChem CID 169383267) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate
PubChem CID169383267
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate
SMILESCCOC(=O)CCOc1c(C=NNc2ccccc2)cccc1OC
InChIInChI=1S/C19H22N2O4/c1-3-24-18(22)12-13-25-19-15(8-7-11-17(19)23-2)14-20-21-16-9-5-4-6-10-16/h4-11,14,21H,3,12-13H2,1-2H3
InChIKeyTUKKDDDTBLLREU-UHFFFAOYSA-N
XLogP3.47
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
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-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 169382456
4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline
CID 110506232
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841262
N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504984
N-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383017
N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340211
ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
CID 25237295
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
N-[(E)-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]aniline
CID 126087402
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate?
The IUPAC name of ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate (CID 169383267) is ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate.
What is the SMILES notation for ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate?
The canonical SMILES for ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate is CCOC(=O)CCOc1c(C=NNc2ccccc2)cccc1OC.
What is the InChIKey of ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate?
The InChIKey is TUKKDDDTBLLREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-24-18(22)12-13-25-19-15(8-7-11-17(19)23-2)14-20-21-16-9-5-4-6-10-16/h4-11,14,21H,3,12-13H2,1-2H3.
What are the key properties of ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate?
ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate has a molecular weight of 342.40 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate is sourced from PubChem (CID 169383267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).