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

C19H21NO5 — CID 9139564

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCOc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO5/c1-14-3-7-17(8-4-14)24-12-11-19(22)25-13-18(21)20-15-5-9-16(23-2)10-6-15/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyYMUHGQLUFKZIHO-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.95
Rot. Bonds8

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

[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate (PubChem CID 9139564) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
PubChem CID9139564
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCOc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO5/c1-14-3-7-17(8-4-14)24-12-11-19(22)25-13-18(21)20-15-5-9-16(23-2)10-6-15/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyYMUHGQLUFKZIHO-UHFFFAOYSA-N
XLogP2.95
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-bromoanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2358586
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 9329071
(2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate
CID 7147829
dimethyl 5-[[2-[3-(4-methoxyphenoxy)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 55316570
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 29143794
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 29378856
[2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535303
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2095980
[2-(4-methoxyanilino)-2-oxoethyl] propanoate
CID 7851370
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535326
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 29142216

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate (CID 9139564) is [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate is COc1ccc(NC(=O)COC(=O)CCOc2ccc(C)cc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
The InChIKey is YMUHGQLUFKZIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-14-3-7-17(8-4-14)24-12-11-19(22)25-13-18(21)20-15-5-9-16(23-2)10-6-15/h3-10H,11-13H2,1-2H3,(H,20,21).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate?
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate has a molecular weight of 343.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate is sourced from PubChem (CID 9139564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).