methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate

C20H23NO5 — CID 55560836

IUPACmethyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(OCC(=O)N(C)Cc2ccccc2OC)c1
InChIInChI=1S/C20H23NO5/c1-14-9-10-15(20(23)25-4)11-18(14)26-13-19(22)21(2)12-16-7-5-6-8-17(16)24-3/h5-11H,12-13H2,1-4H3
InChIKeyCQHHLODLHICZBX-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.83
Rot. Bonds7

About methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate

methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate (PubChem CID 55560836) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate
PubChem CID55560836
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namemethyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(OCC(=O)N(C)Cc2ccccc2OC)c1
InChIInChI=1S/C20H23NO5/c1-14-9-10-15(20(23)25-4)11-18(14)26-13-19(22)21(2)12-16-7-5-6-8-17(16)24-3/h5-11H,12-13H2,1-4H3
InChIKeyCQHHLODLHICZBX-UHFFFAOYSA-N
XLogP2.83
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzoylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560002
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 18776539
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7486792
2-(5-bromo-2-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 112828375
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 7432850
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 7433764
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 28576849
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7757485
methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
CID 8808009

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate?
The IUPAC name of methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate (CID 55560836) is methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate?
The canonical SMILES for methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate is COC(=O)c1ccc(C)c(OCC(=O)N(C)Cc2ccccc2OC)c1.
What is the InChIKey of methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate?
The InChIKey is CQHHLODLHICZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14-9-10-15(20(23)25-4)11-18(14)26-13-19(22)21(2)12-16-7-5-6-8-17(16)24-3/h5-11H,12-13H2,1-4H3.
What are the key properties of methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate?
methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate has a molecular weight of 357.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate is sourced from PubChem (CID 55560836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).