phenacyl 2-acetamido-3-phenylpropanoate

C19H19NO4 — CID 2914367

IUPACphenacyl 2-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(Cc1ccccc1)C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-14(21)20-17(12-15-8-4-2-5-9-15)19(23)24-13-18(22)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,20,21)
InChIKeyWOHRVCZGVLKXSR-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.16
Rot. Bonds7

About phenacyl 2-acetamido-3-phenylpropanoate

phenacyl 2-acetamido-3-phenylpropanoate (PubChem CID 2914367) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is phenacyl 2-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Namephenacyl 2-acetamido-3-phenylpropanoate
PubChem CID2914367
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namephenacyl 2-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(Cc1ccccc1)C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-14(21)20-17(12-15-8-4-2-5-9-15)19(23)24-13-18(22)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,20,21)
InChIKeyWOHRVCZGVLKXSR-UHFFFAOYSA-N
XLogP2.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenacyl 2-acetamido-3-phenylpropanoate?
The IUPAC name of phenacyl 2-acetamido-3-phenylpropanoate (CID 2914367) is phenacyl 2-acetamido-3-phenylpropanoate.
What is the SMILES notation for phenacyl 2-acetamido-3-phenylpropanoate?
The canonical SMILES for phenacyl 2-acetamido-3-phenylpropanoate is CC(=O)NC(Cc1ccccc1)C(=O)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-acetamido-3-phenylpropanoate?
The InChIKey is WOHRVCZGVLKXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-14(21)20-17(12-15-8-4-2-5-9-15)19(23)24-13-18(22)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,20,21).
What are the key properties of phenacyl 2-acetamido-3-phenylpropanoate?
phenacyl 2-acetamido-3-phenylpropanoate has a molecular weight of 325.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-acetamido-3-phenylpropanoate is sourced from PubChem (CID 2914367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).