[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate

C22H25NO6 — CID 55417200

IUPAC[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)COc1ccc(C(=O)CC)cc1
InChIInChI=1S/C22H25NO6/c1-4-19(24)16-10-12-17(13-11-16)28-14-21(25)29-15(3)22(26)23-18-8-6-7-9-20(18)27-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,23,26)
InChIKeyBHXIBFSIWGDGQS-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.63
Rot. Bonds10

About [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate

[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate (PubChem CID 55417200) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
PubChem CID55417200
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)COc1ccc(C(=O)CC)cc1
InChIInChI=1S/C22H25NO6/c1-4-19(24)16-10-12-17(13-11-16)28-14-21(25)29-15(3)22(26)23-18-8-6-7-9-20(18)27-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,23,26)
InChIKeyBHXIBFSIWGDGQS-UHFFFAOYSA-N
XLogP3.63
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273832
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 46621179
N-[2-[2-(4-ethoxyphenyl)-2-oxoethoxy]phenyl]acetamide
CID 2443275
(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 7855111
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598388
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885477
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 7855094
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 9325873
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 7854995
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7709454
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 46618850

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate (CID 55417200) is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate is CCOc1ccccc1NC(=O)C(C)OC(=O)COc1ccc(C(=O)CC)cc1.
What is the InChIKey of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is BHXIBFSIWGDGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-4-19(24)16-10-12-17(13-11-16)28-14-21(25)29-15(3)22(26)23-18-8-6-7-9-20(18)27-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,23,26).
What are the key properties of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate?
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 399.44 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 55417200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).