methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate

C20H23NO5 — CID 2120642

IUPACmethyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C20H23NO5/c1-12-6-7-14(8-13(12)2)9-19(22)21-16-11-18(25-4)17(24-3)10-15(16)20(23)26-5/h6-8,10-11H,9H2,1-5H3,(H,21,22)
InChIKeyYPPQBXNDOAISAW-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.29
Rot. Bonds6

About methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate

methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate (PubChem CID 2120642) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate
PubChem CID2120642
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namemethyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C20H23NO5/c1-12-6-7-14(8-13(12)2)9-19(22)21-16-11-18(25-4)17(24-3)10-15(16)20(23)26-5/h6-8,10-11H,9H2,1-5H3,(H,21,22)
InChIKeyYPPQBXNDOAISAW-UHFFFAOYSA-N
XLogP3.29
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521
methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
CID 2808926
methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 5305505
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-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-4,5-dimethoxybenzoate
CID 9104092
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838138
N-(2-amino-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867945
methyl 4,5-dimethoxy-2-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119677751
methyl 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
CID 1328483
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate (CID 2120642) is methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate?
The InChIKey is YPPQBXNDOAISAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-12-6-7-14(8-13(12)2)9-19(22)21-16-11-18(25-4)17(24-3)10-15(16)20(23)26-5/h6-8,10-11H,9H2,1-5H3,(H,21,22).
What are the key properties of methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate?
methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 2120642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).