ethyl 2-(2,4-dimethoxyphenyl)iminoacetate

C12H15NO4 — CID 101411260

IUPACethyl 2-(2,4-dimethoxyphenyl)iminoacetate
SMILESCCOC(=O)/C=N/c1ccc(OC)cc1OC
InChIInChI=1S/C12H15NO4/c1-4-17-12(14)8-13-10-6-5-9(15-2)7-11(10)16-3/h5-8H,4H2,1-3H3/b13-8+
InChIKeyGZZBCNFTJUNOJP-MDWZMJQESA-N
MW237.25 g/mol
LogP1.97
Rot. Bonds5

About ethyl 2-(2,4-dimethoxyphenyl)iminoacetate

ethyl 2-(2,4-dimethoxyphenyl)iminoacetate (PubChem CID 101411260) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 2-(2,4-dimethoxyphenyl)iminoacetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dimethoxyphenyl)iminoacetate
PubChem CID101411260
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl 2-(2,4-dimethoxyphenyl)iminoacetate
SMILESCCOC(=O)/C=N/c1ccc(OC)cc1OC
InChIInChI=1S/C12H15NO4/c1-4-17-12(14)8-13-10-6-5-9(15-2)7-11(10)16-3/h5-8H,4H2,1-3H3/b13-8+
InChIKeyGZZBCNFTJUNOJP-MDWZMJQESA-N
XLogP1.97
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one
CID 7208289
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
ethyl 2-[(4-methoxyphenyl)methoxyimino]acetate
CID 75985313
ethyl 2-phenyliminoacetate
CID 7095267
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
ethyl 4-[(2,4-dimethoxyphenyl)diazenyl]-1H-imidazole-5-carboxylate
CID 4307729
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 12536283
ethyl (Z)-3-amino-3-[2-[2-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]-4-methoxyphenyl]-5-methoxyphenyl]prop-2-enoate
CID 122400603
ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dimethoxyphenyl)iminoacetate?
The IUPAC name of ethyl 2-(2,4-dimethoxyphenyl)iminoacetate (CID 101411260) is ethyl 2-(2,4-dimethoxyphenyl)iminoacetate.
What is the SMILES notation for ethyl 2-(2,4-dimethoxyphenyl)iminoacetate?
The canonical SMILES for ethyl 2-(2,4-dimethoxyphenyl)iminoacetate is CCOC(=O)/C=N/c1ccc(OC)cc1OC.
What is the InChIKey of ethyl 2-(2,4-dimethoxyphenyl)iminoacetate?
The InChIKey is GZZBCNFTJUNOJP-MDWZMJQESA-N. The full InChI is InChI=1S/C12H15NO4/c1-4-17-12(14)8-13-10-6-5-9(15-2)7-11(10)16-3/h5-8H,4H2,1-3H3/b13-8+.
What are the key properties of ethyl 2-(2,4-dimethoxyphenyl)iminoacetate?
ethyl 2-(2,4-dimethoxyphenyl)iminoacetate has a molecular weight of 237.25 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dimethoxyphenyl)iminoacetate is sourced from PubChem (CID 101411260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).