N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide

C17H19N3O4 — CID 154771364

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)CCC1NC(=O)NC1=O
InChIInChI=1S/C17H19N3O4/c1-10(14-9-11-5-3-4-6-13(11)24-14)20(2)15(21)8-7-12-16(22)19-17(23)18-12/h3-6,9-10,12H,7-8H2,1-2H3,(H2,18,19,22,23)
InChIKeyCVGFRQFKKXOTIF-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.94
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide

N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide (PubChem CID 154771364) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide
PubChem CID154771364
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)CCC1NC(=O)NC1=O
InChIInChI=1S/C17H19N3O4/c1-10(14-9-11-5-3-4-6-13(11)24-14)20(2)15(21)8-7-12-16(22)19-17(23)18-12/h3-6,9-10,12H,7-8H2,1-2H3,(H2,18,19,22,23)
InChIKeyCVGFRQFKKXOTIF-UHFFFAOYSA-N
XLogP1.94
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide (CID 154771364) is N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide is CC(c1cc2ccccc2o1)N(C)C(=O)CCC1NC(=O)NC1=O.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide?
The InChIKey is CVGFRQFKKXOTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10(14-9-11-5-3-4-6-13(11)24-14)20(2)15(21)8-7-12-16(22)19-17(23)18-12/h3-6,9-10,12H,7-8H2,1-2H3,(H2,18,19,22,23).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide has a molecular weight of 329.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide is sourced from PubChem (CID 154771364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).