ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate

C19H21NO4 — CID 101131689

IUPACethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate
SMILESCCOC(=O)C(/N=C/c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-19(21)18(15-7-11-17(23-3)12-8-15)20-13-14-5-9-16(22-2)10-6-14/h5-13,18H,4H2,1-3H3/b20-13+
InChIKeyZNSZRJQNQSWUOE-DEDYPNTBSA-N
MW327.38 g/mol
LogP3.43
Rot. Bonds7

About ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate

ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate (PubChem CID 101131689) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate
PubChem CID101131689
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate
SMILESCCOC(=O)C(/N=C/c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-19(21)18(15-7-11-17(23-3)12-8-15)20-13-14-5-9-16(22-2)10-6-14/h5-13,18H,4H2,1-3H3/b20-13+
InChIKeyZNSZRJQNQSWUOE-DEDYPNTBSA-N
XLogP3.43
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.43
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 (3R)-3-amino-2-fluoro-3-(4-methoxyphenyl)propanoate;hydrochloride
CID 171239902
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
CID 13240768
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
methyl (2S)-2-[(4-methoxyphenyl)methylideneamino]-3-methylbutanoate
CID 10377371
methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate
CID 70545359
ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate
CID 162356013
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine
CID 74408432
propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 163303603
ethyl (2S)-3-acetyloxy-2-(4-methoxyphenyl)propanoate
CID 11346142

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate (CID 101131689) is ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate is CCOC(=O)C(/N=C/c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate?
The InChIKey is ZNSZRJQNQSWUOE-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-24-19(21)18(15-7-11-17(23-3)12-8-15)20-13-14-5-9-16(22-2)10-6-14/h5-13,18H,4H2,1-3H3/b20-13+.
What are the key properties of ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate?
ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate has a molecular weight of 327.38 g/mol, XLogP of 3.43, 7 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)methylideneamino]acetate is sourced from PubChem (CID 101131689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).