methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate

C15H21NO7 — CID 43037508

IUPACmethyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
SMILESCOCCOCC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC
InChIInChI=1S/C15H21NO7/c1-19-5-6-23-9-14(17)16-11-8-13(21-3)12(20-2)7-10(11)15(18)22-4/h7-8H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyNSBQZPMYTWKGKS-UHFFFAOYSA-N
MW327.33 g/mol
LogP1.09
Rot. Bonds9

About methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate

methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate (PubChem CID 43037508) has the molecular formula C15H21NO7 and a molecular weight of 327.33 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
PubChem CID43037508
Molecular FormulaC15H21NO7
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Namemethyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
SMILESCOCCOCC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC
InChIInChI=1S/C15H21NO7/c1-19-5-6-23-9-14(17)16-11-8-13(21-3)12(20-2)7-10(11)15(18)22-4/h7-8H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyNSBQZPMYTWKGKS-UHFFFAOYSA-N
XLogP1.09
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
CID 2808926
4,5-dimethoxy-2-[(2-propoxyacetyl)amino]benzoic acid
CID 107937657
methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride
CID 119265007
methyl 2-(3,3-dimethylbutanoylamino)-4,5-dimethoxybenzoate
CID 2104071
methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 8801664
methyl 2-[[2-(2-ethoxyphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
CID 7917770
methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 108745791
methyl 4,5-dimethoxy-2-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119677751
4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63744788
methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate
CID 2120642
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-4,5-dimethoxybenzoate
CID 120586654
methyl 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
CID 1328483

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate (CID 43037508) is methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate is COCCOCC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC.
What is the InChIKey of methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate?
The InChIKey is NSBQZPMYTWKGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO7/c1-19-5-6-23-9-14(17)16-11-8-13(21-3)12(20-2)7-10(11)15(18)22-4/h7-8H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate?
methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate has a molecular weight of 327.33 g/mol, XLogP of 1.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate is sourced from PubChem (CID 43037508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).