methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate

C20H23NO6 — CID 7965611

IUPACmethyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO6/c1-21(12-14-5-10-17(24-2)18(11-14)25-3)19(22)13-27-16-8-6-15(7-9-16)20(23)26-4/h5-11H,12-13H2,1-4H3
InChIKeyRRYBUPKYUHCGIQ-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.53
Rot. Bonds8

About methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate

methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate (PubChem CID 7965611) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate
PubChem CID7965611
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namemethyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO6/c1-21(12-14-5-10-17(24-2)18(11-14)25-3)19(22)13-27-16-8-6-15(7-9-16)20(23)26-4/h5-11H,12-13H2,1-4H3
InChIKeyRRYBUPKYUHCGIQ-UHFFFAOYSA-N
XLogP2.53
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide
CID 4842945
methyl 4-[[3-(3,4-dimethoxyphenyl)propanoyl-methylamino]methyl]benzoate
CID 37418458
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 92674939
methyl 3-methoxy-4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethoxy]benzoate
CID 8807970
methyl 4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-hydroxypropoxy]benzoate
CID 46664178
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558699
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 27891131
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60937433

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate (CID 7965611) is methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate is COC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate?
The InChIKey is RRYBUPKYUHCGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-21(12-14-5-10-17(24-2)18(11-14)25-3)19(22)13-27-16-8-6-15(7-9-16)20(23)26-4/h5-11H,12-13H2,1-4H3.
What are the key properties of methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate?
methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate has a molecular weight of 373.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 7965611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).