ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate

C19H22N2O5 — CID 99783925

IUPACethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C19H22N2O5/c1-3-25-18(22)13-26-16-9-7-15(8-10-16)21-19(23)20-12-14-5-4-6-17(11-14)24-2/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyGGYJHSPLIJMJAE-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.96
Rot. Bonds8

About ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate

ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate (PubChem CID 99783925) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate
PubChem CID99783925
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Nameethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C19H22N2O5/c1-3-25-18(22)13-26-16-9-7-15(8-10-16)21-19(23)20-12-14-5-4-6-17(11-14)24-2/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyGGYJHSPLIJMJAE-UHFFFAOYSA-N
XLogP2.96
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842501
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
2-[4-[(3-acetamidophenyl)methylcarbamoylamino]phenoxy]-N-ethylacetamide
CID 55697379
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 3809649
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
methyl 2-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenoxy]acetate
CID 119787093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate (CID 99783925) is ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate is CCOC(=O)COc1ccc(NC(=O)NCc2cccc(OC)c2)cc1.
What is the InChIKey of ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate?
The InChIKey is GGYJHSPLIJMJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-3-25-18(22)13-26-16-9-7-15(8-10-16)21-19(23)20-12-14-5-4-6-17(11-14)24-2/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23).
What are the key properties of ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate?
ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate has a molecular weight of 358.39 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate is sourced from PubChem (CID 99783925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).