[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate

C22H25NO4 — CID 7627427

IUPAC[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate
SMILESCC(=O)NCCCc1ccc(C(=O)COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C22H25NO4/c1-17(24)23-15-5-8-19-9-12-20(13-10-19)21(25)16-27-22(26)14-11-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13H,5,8,11,14-16H2,1H3,(H,23,24)
InChIKeyURTJQWQTTXYZJH-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.11
Rot. Bonds10

About [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate

[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate (PubChem CID 7627427) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate
PubChem CID7627427
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate
SMILESCC(=O)NCCCc1ccc(C(=O)COC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C22H25NO4/c1-17(24)23-15-5-8-19-9-12-20(13-10-19)21(25)16-27-22(26)14-11-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13H,5,8,11,14-16H2,1H3,(H,23,24)
InChIKeyURTJQWQTTXYZJH-UHFFFAOYSA-N
XLogP3.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3,3-diphenylpropanoate
CID 46817553
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7489309
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 43030429
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 30996024
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-hydroxybenzoate
CID 7626635
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-ethoxybenzoate
CID 7874648
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylthiophene-2-carboxylate
CID 30995237
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-fluorobenzoate
CID 7874655
[2-(4-fluorophenyl)-2-oxoethyl] 6-acetamidohexanoate
CID 5186490
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7488852
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 30824444
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 32797220

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate (CID 7627427) is [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate is CC(=O)NCCCc1ccc(C(=O)COC(=O)CCc2ccccc2)cc1.
What is the InChIKey of [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is URTJQWQTTXYZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-17(24)23-15-5-8-19-9-12-20(13-10-19)21(25)16-27-22(26)14-11-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13H,5,8,11,14-16H2,1H3,(H,23,24).
What are the key properties of [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate?
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 367.45 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 7627427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).