N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C17H25N3O3 — CID 112778992

IUPACN-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCC23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C17H25N3O3/c1-19-9-15(22)20(16(19)23)8-14(21)18-10-17-5-11-2-12(6-17)4-13(3-11)7-17/h11-13H,2-10H2,1H3,(H,18,21)
InChIKeyQWDSNVMGRASDFW-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.21
Rot. Bonds4

About N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 112778992) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID112778992
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)NCC23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C17H25N3O3/c1-19-9-15(22)20(16(19)23)8-14(21)18-10-17-5-11-2-12(6-17)4-13(3-11)7-17/h11-13H,2-10H2,1H3,(H,18,21)
InChIKeyQWDSNVMGRASDFW-UHFFFAOYSA-N
XLogP1.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
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-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 112778992) is N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CN1CC(=O)N(CC(=O)NCC23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is QWDSNVMGRASDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-19-9-15(22)20(16(19)23)8-14(21)18-10-17-5-11-2-12(6-17)4-13(3-11)7-17/h11-13H,2-10H2,1H3,(H,18,21).
What are the key properties of N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 112778992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).