[2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate

C19H21NO5 — CID 177405445

IUPAC[2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate
SMILESCOc1cccc(OC)c1/C=N/OCc1c(C)cccc1OC(C)=O
InChIInChI=1S/C19H21NO5/c1-13-7-5-10-19(25-14(2)21)16(13)12-24-20-11-15-17(22-3)8-6-9-18(15)23-4/h5-11H,12H2,1-4H3/b20-11+
InChIKeyDIZDCDYTKCDDTB-RGVLZGJSSA-N
MW343.38 g/mol
LogP3.49
Rot. Bonds7

About [2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate

[2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate (PubChem CID 177405445) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate.

Molecular Properties

Compound Name[2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate
PubChem CID177405445
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate
SMILESCOc1cccc(OC)c1/C=N/OCc1c(C)cccc1OC(C)=O
InChIInChI=1S/C19H21NO5/c1-13-7-5-10-19(25-14(2)21)16(13)12-24-20-11-15-17(22-3)8-6-9-18(15)23-4/h5-11H,12H2,1-4H3/b20-11+
InChIKeyDIZDCDYTKCDDTB-RGVLZGJSSA-N
XLogP3.49
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxy-2,3-dihydro-1H-inden-4-yl] acetate
CID 177453131
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl] methyl carbonate
CID 122645722
(4-acetyloxy-3-methoxy-8-methylnaphthalen-1-yl) acetate
CID 19872716
[3-methyl-2-(2,3,4-trimethoxy-6-methylbenzoyl)phenyl] acetate
CID 22671378
[3-(sulfanylmethyl)-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] acetate
CID 122646332
(2-hydroxy-6-methoxyphenyl)methyl acetate
CID 162054633
(2-ethyl-3-methylphenyl) hydrogen carbonate
CID 57357768
methyl (2E)-2-[2-[[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 169285741
1-(2-methoxy-6-methylphenyl)pentan-1-one
CID 83950102
acetyl 2,6-dimethoxybenzoate
CID 57154954

Frequently Asked Questions

What is the IUPAC name of [2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate?
The IUPAC name of [2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate (CID 177405445) is [2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate.
What is the SMILES notation for [2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate?
The canonical SMILES for [2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate is COc1cccc(OC)c1/C=N/OCc1c(C)cccc1OC(C)=O.
What is the InChIKey of [2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate?
The InChIKey is DIZDCDYTKCDDTB-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H21NO5/c1-13-7-5-10-19(25-14(2)21)16(13)12-24-20-11-15-17(22-3)8-6-9-18(15)23-4/h5-11H,12H2,1-4H3/b20-11+.
What are the key properties of [2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate?
[2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate has a molecular weight of 343.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(E)-(2,6-dimethoxyphenyl)methylideneamino]oxymethyl]-3-methylphenyl] acetate is sourced from PubChem (CID 177405445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).