[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate

C23H29NO5 — CID 46621179

IUPAC[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C23H29NO5/c1-6-27-21-10-8-7-9-20(21)24-23(26)17(5)29-22(25)14-28-18-11-12-19(15(2)3)16(4)13-18/h7-13,15,17H,6,14H2,1-5H3,(H,24,26)
InChIKeyZDJSCPPAZUZPSW-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.47
Rot. Bonds9

About [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate

[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate (PubChem CID 46621179) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
PubChem CID46621179
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C23H29NO5/c1-6-27-21-10-8-7-9-20(21)24-23(26)17(5)29-22(25)14-28-18-11-12-19(15(2)3)16(4)13-18/h7-13,15,17H,6,14H2,1-5H3,(H,24,26)
InChIKeyZDJSCPPAZUZPSW-UHFFFAOYSA-N
XLogP4.47
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 55417200
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273832
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885477
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8637869
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 55418976
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738292
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598388
(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
(2R)-2-(3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 890147
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846020
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 55420843

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate (CID 46621179) is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The canonical SMILES for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate is CCOc1ccccc1NC(=O)C(C)OC(=O)COc1ccc(C(C)C)c(C)c1.
What is the InChIKey of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
The InChIKey is ZDJSCPPAZUZPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-6-27-21-10-8-7-9-20(21)24-23(26)17(5)29-22(25)14-28-18-11-12-19(15(2)3)16(4)13-18/h7-13,15,17H,6,14H2,1-5H3,(H,24,26).
What are the key properties of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate?
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate has a molecular weight of 399.49 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 46621179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).