ethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate

C22H24N2O3 — CID 134873452

IUPACethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate
SMILESCCOC(=O)C(=C=Nc1ccc(OC)cc1)/C(C)=N/c1c(C)cccc1C
InChIInChI=1S/C22H24N2O3/c1-6-27-22(25)20(14-23-18-10-12-19(26-5)13-11-18)17(4)24-21-15(2)8-7-9-16(21)3/h7-13H,6H2,1-5H3/b24-17+
InChIKeyNQESOCNSIPSPAH-JJIBRWJFSA-N
MW364.45 g/mol
LogP4.90
Rot. Bonds6

About ethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate

ethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate (PubChem CID 134873452) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is ethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate.

Molecular Properties

Compound Nameethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate
PubChem CID134873452
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Nameethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate
SMILESCCOC(=O)C(=C=Nc1ccc(OC)cc1)/C(C)=N/c1c(C)cccc1C
InChIInChI=1S/C22H24N2O3/c1-6-27-22(25)20(14-23-18-10-12-19(26-5)13-11-18)17(4)24-21-15(2)8-7-9-16(21)3/h7-13H,6H2,1-5H3/b24-17+
InChIKeyNQESOCNSIPSPAH-JJIBRWJFSA-N
XLogP4.90
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
CID 11370410
ethyl 3-(2,6-dimethylphenyl)imino-2-[hydroxy-(2,4,6-trimethylphenyl)methylidene]butanoate
CID 160842771
ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 45102978
ethyl 4-(4-methoxyphenyl)-2-methylbuta-2,3-dienoate
CID 11253262
ethyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoate
CID 136799679
ethyl (E)-3-(4-methoxyphenyl)-2-methylbut-2-enoate
CID 14981539
ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135078809
ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate
CID 19421674
ethyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]-3-phenylprop-2-enoate
CID 149163330
ethyl (Z)-2,3-difluoro-4-(4-methoxyphenyl)-4-oxobut-2-enoate
CID 102175200
ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
ethyl (Z)-2-[N-(4-methoxyphenyl)-C-(trifluoromethyl)carbonimidoyl]oxypent-2-enoate
CID 102255804

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate?
The IUPAC name of ethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate (CID 134873452) is ethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate.
What is the SMILES notation for ethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate?
The canonical SMILES for ethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate is CCOC(=O)C(=C=Nc1ccc(OC)cc1)/C(C)=N/c1c(C)cccc1C.
What is the InChIKey of ethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate?
The InChIKey is NQESOCNSIPSPAH-JJIBRWJFSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-6-27-22(25)20(14-23-18-10-12-19(26-5)13-11-18)17(4)24-21-15(2)8-7-9-16(21)3/h7-13H,6H2,1-5H3/b24-17+.
What are the key properties of ethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate?
ethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate has a molecular weight of 364.45 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,6-dimethylphenyl)imino-2-[(4-methoxyphenyl)iminomethylidene]butanoate is sourced from PubChem (CID 134873452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).