N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

C16H20N4O5 — CID 72844670

IUPACN-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C16H20N4O5/c1-9-3-4-13(25-9)11-6-19(7-12(11)18-10(2)21)15(23)8-20-14(22)5-17-16(20)24/h3-4,11-12H,5-8H2,1-2H3,(H,17,24)(H,18,21)/t11-,12-/m1/s1
InChIKeyCAECPLVGUXNGIQ-VXGBXAGGSA-N
MW348.36 g/mol
LogP-0.43
Rot. Bonds4

About N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 72844670) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID72844670
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC NameN-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C16H20N4O5/c1-9-3-4-13(25-9)11-6-19(7-12(11)18-10(2)21)15(23)8-20-14(22)5-17-16(20)24/h3-4,11-12H,5-8H2,1-2H3,(H,17,24)(H,18,21)/t11-,12-/m1/s1
InChIKeyCAECPLVGUXNGIQ-VXGBXAGGSA-N
XLogP-0.43
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (CID 72844670) is N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1c1ccc(C)o1.
What is the InChIKey of N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is CAECPLVGUXNGIQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-9-3-4-13(25-9)11-6-19(7-12(11)18-10(2)21)15(23)8-20-14(22)5-17-16(20)24/h3-4,11-12H,5-8H2,1-2H3,(H,17,24)(H,18,21)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 348.36 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72844670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).