N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide

C17H24N4O3 — CID 121159557

IUPACN-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C17H24N4O3/c22-14-7-18-15(23)21(14)13-8-20(9-13)16(24)19-17-4-10-1-11(5-17)3-12(2-10)6-17/h10-13H,1-9H2,(H,18,23)(H,19,24)
InChIKeyODXRSPXMYAUSHP-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.90
Rot. Bonds2

About N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide

N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide (PubChem CID 121159557) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
PubChem CID121159557
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C17H24N4O3/c22-14-7-18-15(23)21(14)13-8-20(9-13)16(24)19-17-4-10-1-11(5-17)3-12(2-10)6-17/h10-13H,1-9H2,(H,18,23)(H,19,24)
InChIKeyODXRSPXMYAUSHP-UHFFFAOYSA-N
XLogP0.90
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide (CID 121159557) is N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1CC(N2C(=O)CNC2=O)C1.
What is the InChIKey of N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide?
The InChIKey is ODXRSPXMYAUSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-14-7-18-15(23)21(14)13-8-20(9-13)16(24)19-17-4-10-1-11(5-17)3-12(2-10)6-17/h10-13H,1-9H2,(H,18,23)(H,19,24).
What are the key properties of N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide?
N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 121159557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).