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

C18H19NO6 — CID 2590569

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C18H19NO6/c1-22-14-6-8-15(9-7-14)24-12-18(21)25-11-17(20)19-13-4-3-5-16(10-13)23-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyRQOKXNUXFFAWNO-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.26
Rot. Bonds8

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

[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 2590569) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID2590569
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C18H19NO6/c1-22-14-6-8-15(9-7-14)24-12-18(21)25-11-17(20)19-13-4-3-5-16(10-13)23-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyRQOKXNUXFFAWNO-UHFFFAOYSA-N
XLogP2.26
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate
CID 35778947
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2357826
[2-(3-iodoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 23796368
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8547908
[2-(3-methoxyanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588862
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 41464026
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227947
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732341

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (CID 2590569) is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is RQOKXNUXFFAWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-22-14-6-8-15(9-7-14)24-12-18(21)25-11-17(20)19-13-4-3-5-16(10-13)23-2/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 345.35 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 2590569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).