methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate

C13H18N2O4 — CID 163275550

IUPACmethyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1/N=C/N(C)C
InChIInChI=1S/C13H18N2O4/c1-15(2)8-14-10-7-12(18-4)11(17-3)6-9(10)13(16)19-5/h6-8H,1-5H3/b14-8+
InChIKeySWUQXRPZFUSVIS-RIYZIHGNSA-N
MW266.30 g/mol
LogP1.71
Rot. Bonds5

About methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate

methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate (PubChem CID 163275550) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate
PubChem CID163275550
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1/N=C/N(C)C
InChIInChI=1S/C13H18N2O4/c1-15(2)8-14-10-7-12(18-4)11(17-3)6-9(10)13(16)19-5/h6-8H,1-5H3/b14-8+
InChIKeySWUQXRPZFUSVIS-RIYZIHGNSA-N
XLogP1.71
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(dimethylaminomethylideneamino)-4-methoxybenzoate
CID 163274673
methyl 2-(dimethylaminomethylideneamino)-4-methoxy-5-(3-morpholin-4-ylpropoxy)benzoate
CID 101199441
methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate
CID 69372859
methyl 2,5-dichloro-3-(dimethylaminomethylideneamino)benzoate
CID 91733961
2-(dimethylaminomethylideneamino)-4-methoxy-5-phenylmethoxybenzoic acid
CID 155235881
methyl 5-bromo-2-[(E)-dimethylaminomethylideneamino]pyridine-3-carboxylate
CID 118225142
methyl 3-bromo-4-(dimethylaminomethylideneamino)benzoate
CID 177254456
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
methyl 7-(2-chloroethoxy)-2-(dimethylaminomethylideneamino)-6-methoxyquinoline-3-carboxylate
CID 69372875
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
methyl 2,3-difluoro-5-methoxy-4-methylbenzoate
CID 163198256
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate (CID 163275550) is methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1/N=C/N(C)C.
What is the InChIKey of methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate?
The InChIKey is SWUQXRPZFUSVIS-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(2)8-14-10-7-12(18-4)11(17-3)6-9(10)13(16)19-5/h6-8H,1-5H3/b14-8+.
What are the key properties of methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate?
methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate has a molecular weight of 266.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 163275550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).