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

C15H21NO7 — CID 19849627

IUPACmethyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(OC)OC
InChIInChI=1S/C15H21NO7/c1-15(22-5,23-6)14(18)16-10-8-12(20-3)11(19-2)7-9(10)13(17)21-4/h7-8H,1-6H3,(H,16,18)
InChIKeyDABXQFWXOSHIOQ-UHFFFAOYSA-N
MW327.33 g/mol
LogP1.44
Rot. Bonds7

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

methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate (PubChem CID 19849627) has the molecular formula C15H21NO7 and a molecular weight of 327.33 g/mol. Its IUPAC name is methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate
PubChem CID19849627
Molecular FormulaC15H21NO7
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Namemethyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(OC)OC
InChIInChI=1S/C15H21NO7/c1-15(22-5,23-6)14(18)16-10-8-12(20-3)11(19-2)7-9(10)13(17)21-4/h7-8H,1-6H3,(H,16,18)
InChIKeyDABXQFWXOSHIOQ-UHFFFAOYSA-N
XLogP1.44
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3,3-dimethylbutanoylamino)-4,5-dimethoxybenzoate
CID 2104071
methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
CID 2808926
2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 6926632
methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride
CID 119265007
methyl 4,5-dimethoxy-2-(2-methylbutanoylamino)benzoate
CID 46511325
methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 43037508
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-4,5-dimethoxybenzoate
CID 120586654
methyl 2-[(3-iodobenzoyl)amino]-4,5-dimethoxybenzoate
CID 26176939
methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate
CID 2120642
methyl 4,5-dimethoxy-2-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119677751
methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 17428347

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate (CID 19849627) is methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(OC)OC.
What is the InChIKey of methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate?
The InChIKey is DABXQFWXOSHIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO7/c1-15(22-5,23-6)14(18)16-10-8-12(20-3)11(19-2)7-9(10)13(17)21-4/h7-8H,1-6H3,(H,16,18).
What are the key properties of methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate?
methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate has a molecular weight of 327.33 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 19849627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).