[2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate

C22H23NO6 — CID 18231230

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)CCCOc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H23NO6/c1-15(24)17-7-11-20(12-8-17)28-13-3-4-22(27)29-14-21(26)18-5-9-19(10-6-18)23-16(2)25/h5-12H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyPFAFUTATGIRGKD-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.43
Rot. Bonds10

About [2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate

[2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate (PubChem CID 18231230) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
PubChem CID18231230
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)CCCOc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H23NO6/c1-15(24)17-7-11-20(12-8-17)28-13-3-4-22(27)29-14-21(26)18-5-9-19(10-6-18)23-16(2)25/h5-12H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyPFAFUTATGIRGKD-UHFFFAOYSA-N
XLogP3.43
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7431944
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31657210
[2-(4-acetamidophenyl)-2-oxoethyl] 4-butoxybenzoate
CID 8863260
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55320213
[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate
CID 7211682
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535326
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7196243
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 4842334
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7185654
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
[2-(2-carbamoylanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7196596
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate (CID 18231230) is [2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate is CC(=O)Nc1ccc(C(=O)COC(=O)CCCOc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate?
The InChIKey is PFAFUTATGIRGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-15(24)17-7-11-20(12-8-17)28-13-3-4-22(27)29-14-21(26)18-5-9-19(10-6-18)23-16(2)25/h5-12H,3-4,13-14H2,1-2H3,(H,23,25).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate?
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate has a molecular weight of 397.43 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate is sourced from PubChem (CID 18231230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).