[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate

C18H19NO5 — CID 35778947

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate
SMILESCOc1cccc(NC(=O)COC(=O)COc2ccc(C)cc2)c1
InChIInChI=1S/C18H19NO5/c1-13-6-8-15(9-7-13)23-12-18(21)24-11-17(20)19-14-4-3-5-16(10-14)22-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyWGLNULAQHHLBAE-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.56
Rot. Bonds7

About [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate

[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate (PubChem CID 35778947) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate
PubChem CID35778947
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate
SMILESCOc1cccc(NC(=O)COC(=O)COc2ccc(C)cc2)c1
InChIInChI=1S/C18H19NO5/c1-13-6-8-15(9-7-13)23-12-18(21)24-11-17(20)19-14-4-3-5-16(10-14)22-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyWGLNULAQHHLBAE-UHFFFAOYSA-N
XLogP2.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2357826
[2-(3-iodoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 23796368
[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606225
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
[2-(3-methoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 42962958
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822838
[2-(3-methoxyanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588862
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048225

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate (CID 35778947) is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate is COc1cccc(NC(=O)COC(=O)COc2ccc(C)cc2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate?
The InChIKey is WGLNULAQHHLBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-13-6-8-15(9-7-13)23-12-18(21)24-11-17(20)19-14-4-3-5-16(10-14)22-2/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate has a molecular weight of 329.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate is sourced from PubChem (CID 35778947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).