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

C13H17NO6 — CID 2808926

IUPACmethyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
SMILESCOCC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC
InChIInChI=1S/C13H17NO6/c1-17-7-12(15)14-9-6-11(19-3)10(18-2)5-8(9)13(16)20-4/h5-6H,7H2,1-4H3,(H,14,15)
InChIKeyHZPMSVLFGQTEJY-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.08
Rot. Bonds6

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

methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate (PubChem CID 2808926) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
PubChem CID2808926
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Namemethyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
SMILESCOCC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC
InChIInChI=1S/C13H17NO6/c1-17-7-12(15)14-9-6-11(19-3)10(18-2)5-8(9)13(16)20-4/h5-6H,7H2,1-4H3,(H,14,15)
InChIKeyHZPMSVLFGQTEJY-UHFFFAOYSA-N
XLogP1.08
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 43037508
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 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate
CID 11000181
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-4,5-dimethoxybenzoate
CID 120586654
methyl 4,5-dimethoxy-2-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119677751
methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate
CID 2120642
methyl 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
CID 1328483
methyl 4,5-dimethoxy-2-(2-methylbutanoylamino)benzoate
CID 46511325
methyl 4,5-dimethoxy-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 26176842

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate (CID 2808926) is methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate is COCC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate?
The InChIKey is HZPMSVLFGQTEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-17-7-12(15)14-9-6-11(19-3)10(18-2)5-8(9)13(16)20-4/h5-6H,7H2,1-4H3,(H,14,15).
What are the key properties of methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate?
methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate has a molecular weight of 283.28 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate is sourced from PubChem (CID 2808926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).