[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate

C21H23NO8 — CID 2539686

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)COc2ccc(C(C)=O)cc2OC)c1
InChIInChI=1S/C21H23NO8/c1-13(23)14-5-7-18(19(9-14)28-4)29-12-21(25)30-11-20(24)22-16-10-15(26-2)6-8-17(16)27-3/h5-10H,11-12H2,1-4H3,(H,22,24)
InChIKeyRLJDMEWYTAEVSI-UHFFFAOYSA-N
MW417.41 g/mol
LogP2.48
Rot. Bonds10

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate (PubChem CID 2539686) has the molecular formula C21H23NO8 and a molecular weight of 417.41 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
PubChem CID2539686
Molecular FormulaC21H23NO8
Molecular Weight417.41 g/mol
Exact Mass417.14
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)COc2ccc(C(C)=O)cc2OC)c1
InChIInChI=1S/C21H23NO8/c1-13(23)14-5-7-18(19(9-14)28-4)29-12-21(25)30-11-20(24)22-16-10-15(26-2)6-8-17(16)27-3/h5-10H,11-12H2,1-4H3,(H,22,24)
InChIKeyRLJDMEWYTAEVSI-UHFFFAOYSA-N
XLogP2.48
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501283
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8597894
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526175
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903856
2-(5-acetyl-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 16557440
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539752
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907755
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902728
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799809
2-(2-acetamido-5-acetylphenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 24534009

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate (CID 2539686) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate is COc1ccc(OC)c(NC(=O)COC(=O)COc2ccc(C(C)=O)cc2OC)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The InChIKey is RLJDMEWYTAEVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO8/c1-13(23)14-5-7-18(19(9-14)28-4)29-12-21(25)30-11-20(24)22-16-10-15(26-2)6-8-17(16)27-3/h5-10H,11-12H2,1-4H3,(H,22,24).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate has a molecular weight of 417.41 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate is sourced from PubChem (CID 2539686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).