[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate

C21H25NO6 — CID 55368172

IUPAC[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N(C)Cc2ccccc2OC)c(OC)c1
InChIInChI=1S/C21H25NO6/c1-22(13-16-7-5-6-8-18(16)26-3)20(23)14-28-21(24)11-15-9-10-17(25-2)12-19(15)27-4/h5-10,12H,11,13-14H2,1-4H3
InChIKeyQPLRPOFVLVLGHF-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.46
Rot. Bonds9

About [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate (PubChem CID 55368172) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
PubChem CID55368172
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N(C)Cc2ccccc2OC)c(OC)c1
InChIInChI=1S/C21H25NO6/c1-22(13-16-7-5-6-8-18(16)26-3)20(23)14-28-21(24)11-15-9-10-17(25-2)12-19(15)27-4/h5-10,12H,11,13-14H2,1-4H3
InChIKeyQPLRPOFVLVLGHF-UHFFFAOYSA-N
XLogP2.46
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7480706
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 7433214
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7433817
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-phenoxypropanoate
CID 55358100
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7486792
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7930574
2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
The IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate (CID 55368172) is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)N(C)Cc2ccccc2OC)c(OC)c1.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
The InChIKey is QPLRPOFVLVLGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-22(13-16-7-5-6-8-18(16)26-3)20(23)14-28-21(24)11-15-9-10-17(25-2)12-19(15)27-4/h5-10,12H,11,13-14H2,1-4H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate?
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate has a molecular weight of 387.43 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 55368172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).