phenacyl 3-benzamidopropanoate

C18H17NO4 — CID 2556661

IUPACphenacyl 3-benzamidopropanoate
SMILESO=C(CCNC(=O)c1ccccc1)OCC(=O)c1ccccc1
InChIInChI=1S/C18H17NO4/c20-16(14-7-3-1-4-8-14)13-23-17(21)11-12-19-18(22)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,22)
InChIKeyIJEPVAFPBBIESS-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.23
Rot. Bonds7

About phenacyl 3-benzamidopropanoate

phenacyl 3-benzamidopropanoate (PubChem CID 2556661) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is phenacyl 3-benzamidopropanoate.

Molecular Properties

Compound Namephenacyl 3-benzamidopropanoate
PubChem CID2556661
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namephenacyl 3-benzamidopropanoate
SMILESO=C(CCNC(=O)c1ccccc1)OCC(=O)c1ccccc1
InChIInChI=1S/C18H17NO4/c20-16(14-7-3-1-4-8-14)13-23-17(21)11-12-19-18(22)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,22)
InChIKeyIJEPVAFPBBIESS-UHFFFAOYSA-N
XLogP2.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenacyl 3-benzamidopropanoate?
The IUPAC name of phenacyl 3-benzamidopropanoate (CID 2556661) is phenacyl 3-benzamidopropanoate.
What is the SMILES notation for phenacyl 3-benzamidopropanoate?
The canonical SMILES for phenacyl 3-benzamidopropanoate is O=C(CCNC(=O)c1ccccc1)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 3-benzamidopropanoate?
The InChIKey is IJEPVAFPBBIESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-16(14-7-3-1-4-8-14)13-23-17(21)11-12-19-18(22)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,22).
What are the key properties of phenacyl 3-benzamidopropanoate?
phenacyl 3-benzamidopropanoate has a molecular weight of 311.34 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-benzamidopropanoate is sourced from PubChem (CID 2556661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).