[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

C21H25NO5 — CID 7854161

IUPAC[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C21H25NO5/c1-14(2)16-9-7-8-15(3)21(16)22-19(23)12-27-20(24)13-26-18-11-6-5-10-17(18)25-4/h5-11,14H,12-13H2,1-4H3,(H,22,23)
InChIKeyRDKBULYLJZMAGO-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.69
Rot. Bonds8

About [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 7854161) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
PubChem CID7854161
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C21H25NO5/c1-14(2)16-9-7-8-15(3)21(16)22-19(23)12-27-20(24)13-26-18-11-6-5-10-17(18)25-4/h5-11,14H,12-13H2,1-4H3,(H,22,23)
InChIKeyRDKBULYLJZMAGO-UHFFFAOYSA-N
XLogP3.69
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753574
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 112997414
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8919045
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570538
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853550
2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 727454
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839428
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2337018
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228079
2-(2-acetylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 112781602
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855178

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (CID 7854161) is [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCC(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is RDKBULYLJZMAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-14(2)16-9-7-8-15(3)21(16)22-19(23)12-27-20(24)13-26-18-11-6-5-10-17(18)25-4/h5-11,14H,12-13H2,1-4H3,(H,22,23).
What are the key properties of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 371.43 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 7854161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).