methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate

C26H24N2O6 — CID 11328659

IUPACmethyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate
SMILESCOC(=O)c1cccc(OC)c1/N=C/c1ccc(/C=N/c2c(OC)cccc2C(=O)OC)cc1
InChIInChI=1S/C26H24N2O6/c1-31-21-9-5-7-19(25(29)33-3)23(21)27-15-17-11-13-18(14-12-17)16-28-24-20(26(30)34-4)8-6-10-22(24)32-2/h5-16H,1-4H3/b27-15+,28-16+
InChIKeyRABMTXJCTCGTHV-DPCVLPDWSA-N
MW460.49 g/mol
LogP4.78
Rot. Bonds8

About methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate

methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate (PubChem CID 11328659) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate
PubChem CID11328659
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Namemethyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate
SMILESCOC(=O)c1cccc(OC)c1/N=C/c1ccc(/C=N/c2c(OC)cccc2C(=O)OC)cc1
InChIInChI=1S/C26H24N2O6/c1-31-21-9-5-7-19(25(29)33-3)23(21)27-15-17-11-13-18(14-12-17)16-28-24-20(26(30)34-4)8-6-10-22(24)32-2/h5-16H,1-4H3/b27-15+,28-16+
InChIKeyRABMTXJCTCGTHV-DPCVLPDWSA-N
XLogP4.78
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate with MolForge

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Related Compounds

methyl 3-methoxy-2-methylbenzoate
CID 12527049
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 2-chloro-3-methoxybenzoate
CID 10262208
methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate
CID 3669406
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
methyl 2-(dimethylaminomethylideneamino)-3-(fluoromethoxy)benzoate
CID 157040710
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
N-(2-methoxy-6-phenylphenyl)-1-phenylmethanimine
CID 67447702
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate
CID 90187627
methyl 2-(1-bromoethenyl)-3-methoxybenzoate
CID 101402168
[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
CID 162787179

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate?
The IUPAC name of methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate (CID 11328659) is methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate.
What is the SMILES notation for methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate?
The canonical SMILES for methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate is COC(=O)c1cccc(OC)c1/N=C/c1ccc(/C=N/c2c(OC)cccc2C(=O)OC)cc1.
What is the InChIKey of methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate?
The InChIKey is RABMTXJCTCGTHV-DPCVLPDWSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-31-21-9-5-7-19(25(29)33-3)23(21)27-15-17-11-13-18(14-12-17)16-28-24-20(26(30)34-4)8-6-10-22(24)32-2/h5-16H,1-4H3/b27-15+,28-16+.
What are the key properties of methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate?
methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate has a molecular weight of 460.49 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-[[4-[(2-methoxy-6-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate is sourced from PubChem (CID 11328659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).