N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C20H28N4O5 — CID 7837476

IUPACN-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C20H28N4O5/c1-11(2)9-23-16(26)17(27)24(19(23)29)10-15(25)21-18(28)22-20-6-12-3-13(7-20)5-14(4-12)8-20/h11-14H,3-10H2,1-2H3,(H2,21,22,25,28)
InChIKeyAUEHYPZWDBFJHT-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.23
Rot. Bonds5

About N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 7837476) has the molecular formula C20H28N4O5 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID7837476
Molecular FormulaC20H28N4O5
Molecular Weight404.47 g/mol
Exact Mass404.21
IUPAC NameN-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C20H28N4O5/c1-11(2)9-23-16(26)17(27)24(19(23)29)10-15(25)21-18(28)22-20-6-12-3-13(7-20)5-14(4-12)8-20/h11-14H,3-10H2,1-2H3,(H2,21,22,25,28)
InChIKeyAUEHYPZWDBFJHT-UHFFFAOYSA-N
XLogP1.23
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 7837476) is N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is AUEHYPZWDBFJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5/c1-11(2)9-23-16(26)17(27)24(19(23)29)10-15(25)21-18(28)22-20-6-12-3-13(7-20)5-14(4-12)8-20/h11-14H,3-10H2,1-2H3,(H2,21,22,25,28).
What are the key properties of N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7837476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).