[4-(2-phenylethylcarbamoyl)phenyl] acetate

C17H17NO3 — CID 743751

IUPAC[4-(2-phenylethylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-13(19)21-16-9-7-15(8-10-16)17(20)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyDTEQKVYORJRXBL-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.58
Rot. Bonds5

About [4-(2-phenylethylcarbamoyl)phenyl] acetate

[4-(2-phenylethylcarbamoyl)phenyl] acetate (PubChem CID 743751) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [4-(2-phenylethylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(2-phenylethylcarbamoyl)phenyl] acetate
PubChem CID743751
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[4-(2-phenylethylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-13(19)21-16-9-7-15(8-10-16)17(20)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyDTEQKVYORJRXBL-UHFFFAOYSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethylcarbamoyl)phenyl] acetate?
The IUPAC name of [4-(2-phenylethylcarbamoyl)phenyl] acetate (CID 743751) is [4-(2-phenylethylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [4-(2-phenylethylcarbamoyl)phenyl] acetate?
The canonical SMILES for [4-(2-phenylethylcarbamoyl)phenyl] acetate is CC(=O)Oc1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of [4-(2-phenylethylcarbamoyl)phenyl] acetate?
The InChIKey is DTEQKVYORJRXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13(19)21-16-9-7-15(8-10-16)17(20)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of [4-(2-phenylethylcarbamoyl)phenyl] acetate?
[4-(2-phenylethylcarbamoyl)phenyl] acetate has a molecular weight of 283.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 743751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).