methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate

C20H23NO6 — CID 55770901

IUPACmethyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(C(=O)NCCOc2ccc(C)cc2)ccc1OC
InChIInChI=1S/C20H23NO6/c1-14-4-7-16(8-5-14)26-11-10-21-20(23)15-6-9-17(24-2)18(12-15)27-13-19(22)25-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyXVORXBJAPUKAGE-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.36
Rot. Bonds9

About methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate

methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate (PubChem CID 55770901) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate
PubChem CID55770901
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namemethyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(C(=O)NCCOc2ccc(C)cc2)ccc1OC
InChIInChI=1S/C20H23NO6/c1-14-4-7-16(8-5-14)26-11-10-21-20(23)15-6-9-17(24-2)18(12-15)27-13-19(22)25-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyXVORXBJAPUKAGE-UHFFFAOYSA-N
XLogP2.36
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate
CID 55824099
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide
CID 41442755
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
CID 55416508
N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 46489928
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
CID 31336337

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate (CID 55770901) is methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate is COC(=O)COc1cc(C(=O)NCCOc2ccc(C)cc2)ccc1OC.
What is the InChIKey of methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate?
The InChIKey is XVORXBJAPUKAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-14-4-7-16(8-5-14)26-11-10-21-20(23)15-6-9-17(24-2)18(12-15)27-13-19(22)25-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate?
methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate has a molecular weight of 373.41 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-5-[2-(4-methylphenoxy)ethylcarbamoyl]phenoxy]acetate is sourced from PubChem (CID 55770901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).