[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate

C21H25NO5 — CID 7791207

IUPAC[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
SMILESCCCOc1ccccc1OCC(=O)OCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C21H25NO5/c1-4-9-25-18-7-5-6-8-19(18)26-14-21(24)27-13-20(23)22-17-11-15(2)10-16(3)12-17/h5-8,10-12H,4,9,13-14H2,1-3H3,(H,22,23)
InChIKeyBPHQTSTYEWQNIM-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.65
Rot. Bonds9

About [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate (PubChem CID 7791207) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
PubChem CID7791207
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
SMILESCCCOc1ccccc1OCC(=O)OCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C21H25NO5/c1-4-9-25-18-7-5-6-8-19(18)26-14-21(24)27-13-20(23)22-17-11-15(2)10-16(3)12-17/h5-8,10-12H,4,9,13-14H2,1-3H3,(H,22,23)
InChIKeyBPHQTSTYEWQNIM-UHFFFAOYSA-N
XLogP3.65
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791225
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 8741259
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918872
[2-(cyclopentylamino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791219
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272270
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791120
propyl 2-(2-ethoxyphenoxy)acetate
CID 112724725
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
CID 23883804
2-(2-aminophenoxy)-N-(3-bromo-5-methylphenyl)acetamide
CID 107581639
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791148
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997830
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715032

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate?
The IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate (CID 7791207) is [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate.
What is the SMILES notation for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate?
The canonical SMILES for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate is CCCOc1ccccc1OCC(=O)OCC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate?
The InChIKey is BPHQTSTYEWQNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-4-9-25-18-7-5-6-8-19(18)26-14-21(24)27-13-20(23)22-17-11-15(2)10-16(3)12-17/h5-8,10-12H,4,9,13-14H2,1-3H3,(H,22,23).
What are the key properties of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate?
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate has a molecular weight of 371.43 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate is sourced from PubChem (CID 7791207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).