ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate

C18H19NO4 — CID 11370410

IUPACethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO4/c1-4-23-18(20)17(13-5-9-15(21-2)10-6-13)19-14-7-11-16(22-3)12-8-14/h5-12H,4H2,1-3H3/b19-17-
InChIKeyOFDTVWYGMCESOZ-ZPHPHTNESA-N
MW313.35 g/mol
LogP3.39
Rot. Bonds6

About ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate

ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate (PubChem CID 11370410) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
PubChem CID11370410
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
SMILESCCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO4/c1-4-23-18(20)17(13-5-9-15(21-2)10-6-13)19-14-7-11-16(22-3)12-8-14/h5-12H,4H2,1-3H3/b19-17-
InChIKeyOFDTVWYGMCESOZ-ZPHPHTNESA-N
XLogP3.39
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.39
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

ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135078809
ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 45102978
methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135079465
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
ethyl (E)-3-(4-methoxyphenyl)-2-methylbut-2-enoate
CID 14981539
propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 102078697
ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate
CID 19421674
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl (Z)-2,3-difluoro-4-(4-methoxyphenyl)-4-oxobut-2-enoate
CID 102175200
ethyl (Z)-2-[N-(4-methoxyphenyl)-C-(trifluoromethyl)carbonimidoyl]oxypent-2-enoate
CID 102255804
ethyl 4-(4-methoxyphenyl)-3-methyl-2,4-dioxobutanoate
CID 54803380
ethyl 4-[[1,2-diamino-2-(4-ethoxycarbonylphenyl)iminoethylidene]amino]benzoate
CID 6341789

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate (CID 11370410) is ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate is CCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate?
The InChIKey is OFDTVWYGMCESOZ-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H19NO4/c1-4-23-18(20)17(13-5-9-15(21-2)10-6-13)19-14-7-11-16(22-3)12-8-14/h5-12H,4H2,1-3H3/b19-17-.
What are the key properties of ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate?
ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate has a molecular weight of 313.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate is sourced from PubChem (CID 11370410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).