[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate

C21H25NO6 — CID 8597894

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)COc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H25NO6/c1-14(2)15-5-7-16(8-6-15)27-13-21(24)28-12-20(23)22-18-11-17(25-3)9-10-19(18)26-4/h5-11,14H,12-13H2,1-4H3,(H,22,23)
InChIKeyKPZODCNLDNZHBT-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.39
Rot. Bonds9

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate (PubChem CID 8597894) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
PubChem CID8597894
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)COc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H25NO6/c1-14(2)15-5-7-16(8-6-15)27-13-21(24)28-12-20(23)22-18-11-17(25-3)9-10-19(18)26-4/h5-11,14H,12-13H2,1-4H3,(H,22,23)
InChIKeyKPZODCNLDNZHBT-UHFFFAOYSA-N
XLogP3.39
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 40696696
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903856
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-(2,5-dimethoxyphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 7962700
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
2-(2-bromo-4-propan-2-ylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 19201682
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539686
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 40712962
methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 8598157
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855188
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2497046
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate (CID 8597894) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate is COc1ccc(OC)c(NC(=O)COC(=O)COc2ccc(C(C)C)cc2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The InChIKey is KPZODCNLDNZHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-14(2)15-5-7-16(8-6-15)27-13-21(24)28-12-20(23)22-18-11-17(25-3)9-10-19(18)26-4/h5-11,14H,12-13H2,1-4H3,(H,22,23).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate has a molecular weight of 387.43 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8597894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).