[2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate

C18H18N2O4 — CID 932190

IUPAC[2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1OC(C)=O
InChIInChI=1S/C18H18N2O4/c1-13(21)24-16-9-8-15(10-17(16)23-2)12-19-20-18(22)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyCQGBKPMZTSBITA-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.31
Rot. Bonds6

About [2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate

[2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate (PubChem CID 932190) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate
PubChem CID932190
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1OC(C)=O
InChIInChI=1S/C18H18N2O4/c1-13(21)24-16-9-8-15(10-17(16)23-2)12-19-20-18(22)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyCQGBKPMZTSBITA-UHFFFAOYSA-N
XLogP2.31
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.31
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

N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 124557656
[2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 1008575
[2-methoxy-4-[(Z)-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 9029686
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
[4-[[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 3503807
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 19167941
N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 59185880
N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 124541148
[4-[[(2-iodobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 1008577
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-2-phenylacetamide
CID 6001372
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3627606

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate (CID 932190) is [2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate is COc1cc(C=NNC(=O)Cc2ccccc2)ccc1OC(C)=O.
What is the InChIKey of [2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate?
The InChIKey is CQGBKPMZTSBITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-13(21)24-16-9-8-15(10-17(16)23-2)12-19-20-18(22)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of [2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate?
[2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate has a molecular weight of 326.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 932190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).