[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate

C22H25NO7 — CID 7486792

IUPAC[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C22H25NO7/c1-15(24)16-9-10-19(20(11-16)28-4)29-14-22(26)30-13-21(25)23(2)12-17-7-5-6-8-18(17)27-3/h5-11H,12-14H2,1-4H3
InChIKeySOIXFYUTJBZZBJ-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.49
Rot. Bonds10

About [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate (PubChem CID 7486792) has the molecular formula C22H25NO7 and a molecular weight of 415.44 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
PubChem CID7486792
Molecular FormulaC22H25NO7
Molecular Weight415.44 g/mol
Exact Mass415.16
IUPAC Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C22H25NO7/c1-15(24)16-9-10-19(20(11-16)28-4)29-14-22(26)30-13-21(25)23(2)12-17-7-5-6-8-18(17)27-3/h5-11H,12-14H2,1-4H3
InChIKeySOIXFYUTJBZZBJ-UHFFFAOYSA-N
XLogP2.49
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 26731799
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7433817
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 18776539
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-phenoxypropanoate
CID 55358100
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 55368172
3-[2-(4-acetyl-2-methoxyphenoxy)acetyl]oxypropyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 24677627
methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate
CID 55560836
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 55398107
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 7433764
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
2-(4-benzoylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560002
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 7432850

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate (CID 7486792) is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate is COc1ccccc1CN(C)C(=O)COC(=O)COc1ccc(C(C)=O)cc1OC.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The InChIKey is SOIXFYUTJBZZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO7/c1-15(24)16-9-10-19(20(11-16)28-4)29-14-22(26)30-13-21(25)23(2)12-17-7-5-6-8-18(17)27-3/h5-11H,12-14H2,1-4H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate has a molecular weight of 415.44 g/mol, XLogP of 2.49, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate is sourced from PubChem (CID 7486792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).