[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate

C20H23NO5 — CID 2381043

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OCCC(=O)OCC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H23NO5/c1-21(14-16-6-4-3-5-7-16)19(22)15-26-20(23)12-13-25-18-10-8-17(24-2)9-11-18/h3-11H,12-15H2,1-2H3
InChIKeyQEFRJROSBSTPIF-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.67
Rot. Bonds9

About [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate

[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate (PubChem CID 2381043) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
PubChem CID2381043
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OCCC(=O)OCC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H23NO5/c1-21(14-16-6-4-3-5-7-16)19(22)15-26-20(23)12-13-25-18-10-8-17(24-2)9-11-18/h3-11H,12-15H2,1-2H3
InChIKeyQEFRJROSBSTPIF-UHFFFAOYSA-N
XLogP2.67
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate with MolForge

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Related Compounds

[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 55304647
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 55402769
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-phenoxypropanoate
CID 55358100
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2375807
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
CID 57155799
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55313057
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55374003
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770411
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 29142245
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate (CID 2381043) is [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate is COc1ccc(OCCC(=O)OCC(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate?
The InChIKey is QEFRJROSBSTPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-21(14-16-6-4-3-5-7-16)19(22)15-26-20(23)12-13-25-18-10-8-17(24-2)9-11-18/h3-11H,12-15H2,1-2H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate has a molecular weight of 357.41 g/mol, XLogP of 2.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 2381043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).