(1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate

C20H19NO4 — CID 24982957

IUPAC(1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OC(C)C(=O)c1ccccc1
InChIInChI=1S/C20H19NO4/c1-14(19(23)17-11-7-4-8-12-17)25-20(24)18(21-15(2)22)13-16-9-5-3-6-10-16/h3-14H,1-2H3,(H,21,22)/b18-13-
InChIKeySGVREJYXPQWXCC-AQTBWJFISA-N
MW337.38 g/mol
LogP2.98
Rot. Bonds6

About (1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate

(1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 24982957) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID24982957
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OC(C)C(=O)c1ccccc1
InChIInChI=1S/C20H19NO4/c1-14(19(23)17-11-7-4-8-12-17)25-20(24)18(21-15(2)22)13-16-9-5-3-6-10-16/h3-14H,1-2H3,(H,21,22)/b18-13-
InChIKeySGVREJYXPQWXCC-AQTBWJFISA-N
XLogP2.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate (CID 24982957) is (1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C\c1ccccc1)C(=O)OC(C)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is SGVREJYXPQWXCC-AQTBWJFISA-N. The full InChI is InChI=1S/C20H19NO4/c1-14(19(23)17-11-7-4-8-12-17)25-20(24)18(21-15(2)22)13-16-9-5-3-6-10-16/h3-14H,1-2H3,(H,21,22)/b18-13-.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate?
(1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 337.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 24982957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).