(Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one

C18H20N2O4 — CID 23111220

IUPAC(Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one
SMILESCC(=O)c1oc2ccc(/C(C)=C\C(=O)N3CCOCC3)cc2c1N
InChIInChI=1S/C18H20N2O4/c1-11(9-16(22)20-5-7-23-8-6-20)13-3-4-15-14(10-13)17(19)18(24-15)12(2)21/h3-4,9-10H,5-8,19H2,1-2H3/b11-9-
InChIKeyDDUQPOZPCIAAPL-LUAWRHEFSA-N
MW328.37 g/mol
LogP2.48
Rot. Bonds3

About (Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one

(Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one (PubChem CID 23111220) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one
PubChem CID23111220
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one
SMILESCC(=O)c1oc2ccc(/C(C)=C\C(=O)N3CCOCC3)cc2c1N
InChIInChI=1S/C18H20N2O4/c1-11(9-16(22)20-5-7-23-8-6-20)13-3-4-15-14(10-13)17(19)18(24-15)12(2)21/h3-4,9-10H,5-8,19H2,1-2H3/b11-9-
InChIKeyDDUQPOZPCIAAPL-LUAWRHEFSA-N
XLogP2.48
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one?
The IUPAC name of (Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one (CID 23111220) is (Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one.
What is the SMILES notation for (Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one?
The canonical SMILES for (Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one is CC(=O)c1oc2ccc(/C(C)=C\C(=O)N3CCOCC3)cc2c1N.
What is the InChIKey of (Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one?
The InChIKey is DDUQPOZPCIAAPL-LUAWRHEFSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11(9-16(22)20-5-7-23-8-6-20)13-3-4-15-14(10-13)17(19)18(24-15)12(2)21/h3-4,9-10H,5-8,19H2,1-2H3/b11-9-.
What are the key properties of (Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one?
(Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one has a molecular weight of 328.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one is sourced from PubChem (CID 23111220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).