2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide

C12H15N3O5 — CID 43509786

IUPAC2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC1(c2ccco2)NC(=O)N(CC(=O)NCCO)C1=O
InChIInChI=1S/C12H15N3O5/c1-12(8-3-2-6-20-8)10(18)15(11(19)14-12)7-9(17)13-4-5-16/h2-3,6,16H,4-5,7H2,1H3,(H,13,17)(H,14,19)
InChIKeyXBLANSYTPFKRHQ-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.84
Rot. Bonds5

About 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide

2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 43509786) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID43509786
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC1(c2ccco2)NC(=O)N(CC(=O)NCCO)C1=O
InChIInChI=1S/C12H15N3O5/c1-12(8-3-2-6-20-8)10(18)15(11(19)14-12)7-9(17)13-4-5-16/h2-3,6,16H,4-5,7H2,1H3,(H,13,17)(H,14,19)
InChIKeyXBLANSYTPFKRHQ-UHFFFAOYSA-N
XLogP-0.84
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
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 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide (CID 43509786) is 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide is CC1(c2ccco2)NC(=O)N(CC(=O)NCCO)C1=O.
What is the InChIKey of 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is XBLANSYTPFKRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-12(8-3-2-6-20-8)10(18)15(11(19)14-12)7-9(17)13-4-5-16/h2-3,6,16H,4-5,7H2,1H3,(H,13,17)(H,14,19).
What are the key properties of 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide?
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 281.27 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 43509786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).