[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

C22H25NO7 — CID 7903034

IUPAC[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)COc2cccc(C(C)=O)c2)cc1OCC
InChIInChI=1S/C22H25NO7/c1-4-27-19-10-9-17(12-20(19)28-5-2)23-21(25)13-30-22(26)14-29-18-8-6-7-16(11-18)15(3)24/h6-12H,4-5,13-14H2,1-3H3,(H,23,25)
InChIKeyBZDPBOHIWZWHMK-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.25
Rot. Bonds11

About [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (PubChem CID 7903034) has the molecular formula C22H25NO7 and a molecular weight of 415.44 g/mol. Its IUPAC name is [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
PubChem CID7903034
Molecular FormulaC22H25NO7
Molecular Weight415.44 g/mol
Exact Mass415.16
IUPAC Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCCOc1ccc(NC(=O)COC(=O)COc2cccc(C(C)=O)c2)cc1OCC
InChIInChI=1S/C22H25NO7/c1-4-27-19-10-9-17(12-20(19)28-5-2)23-21(25)13-30-22(26)14-29-18-8-6-7-16(11-18)15(3)24/h6-12H,4-5,13-14H2,1-3H3,(H,23,25)
InChIKeyBZDPBOHIWZWHMK-UHFFFAOYSA-N
XLogP3.25
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526262
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
CID 7903100
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8709525
[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 4842334
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903061
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918544
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526175
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate
CID 7197601

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (CID 7903034) is [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is CCOc1ccc(NC(=O)COC(=O)COc2cccc(C(C)=O)c2)cc1OCC.
What is the InChIKey of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The InChIKey is BZDPBOHIWZWHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO7/c1-4-27-19-10-9-17(12-20(19)28-5-2)23-21(25)13-30-22(26)14-29-18-8-6-7-16(11-18)15(3)24/h6-12H,4-5,13-14H2,1-3H3,(H,23,25).
What are the key properties of [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate has a molecular weight of 415.44 g/mol, XLogP of 3.25, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 7903034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).