[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate

C20H21NO5 — CID 7211682

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H21NO5/c1-3-12-25-18-10-6-16(7-11-18)20(24)26-13-19(23)15-4-8-17(9-5-15)21-14(2)22/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyZPFFRPCPWGAJFU-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.47
Rot. Bonds8

About [2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate

[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate (PubChem CID 7211682) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate
PubChem CID7211682
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H21NO5/c1-3-12-25-18-10-6-16(7-11-18)20(24)26-13-19(23)15-4-8-17(9-5-15)21-14(2)22/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyZPFFRPCPWGAJFU-UHFFFAOYSA-N
XLogP3.47
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidophenyl)-2-oxoethyl] 4-butoxybenzoate
CID 8863260
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194212
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 7211491
[2-(4-hexoxyphenyl)-2-oxoethyl] 4-octoxybenzoate
CID 5126571
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55320213
N-[4-[2-(4-ethoxyphenoxy)acetyl]phenyl]acetamide
CID 2560779
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 18231230
2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
CID 7211957
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42966115
[2-(4-acetamidophenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8792042

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate (CID 7211682) is [2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate?
The InChIKey is ZPFFRPCPWGAJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-3-12-25-18-10-6-16(7-11-18)20(24)26-13-19(23)15-4-8-17(9-5-15)21-14(2)22/h4-11H,3,12-13H2,1-2H3,(H,21,22).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate?
[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate has a molecular weight of 355.39 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate is sourced from PubChem (CID 7211682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).