2-phenylethyl 4-acetamidobenzoate

C17H17NO3 — CID 2449194

IUPAC2-phenylethyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-13(19)18-16-9-7-15(8-10-16)17(20)21-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyDLRJXOYSYPKXTE-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.04
Rot. Bonds5

About 2-phenylethyl 4-acetamidobenzoate

2-phenylethyl 4-acetamidobenzoate (PubChem CID 2449194) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-phenylethyl 4-acetamidobenzoate.

Molecular Properties

Compound Name2-phenylethyl 4-acetamidobenzoate
PubChem CID2449194
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-phenylethyl 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-13(19)18-16-9-7-15(8-10-16)17(20)21-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyDLRJXOYSYPKXTE-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 4-acetamidobenzoate?
The IUPAC name of 2-phenylethyl 4-acetamidobenzoate (CID 2449194) is 2-phenylethyl 4-acetamidobenzoate.
What is the SMILES notation for 2-phenylethyl 4-acetamidobenzoate?
The canonical SMILES for 2-phenylethyl 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethyl 4-acetamidobenzoate?
The InChIKey is DLRJXOYSYPKXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13(19)18-16-9-7-15(8-10-16)17(20)21-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19).
What are the key properties of 2-phenylethyl 4-acetamidobenzoate?
2-phenylethyl 4-acetamidobenzoate has a molecular weight of 283.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 4-acetamidobenzoate is sourced from PubChem (CID 2449194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).