1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one

C17H28N2O — CID 66592995

IUPAC1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(C2C3CC4CC(C3)CC2C4)C(=O)N1C
InChIInChI=1S/C17H28N2O/c1-10(2)15-9-19(17(20)18(15)3)16-13-5-11-4-12(7-13)8-14(16)6-11/h10-16H,4-9H2,1-3H3
InChIKeyXXLXDTGJEATQOW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.20
Rot. Bonds2

About 1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one

1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one (PubChem CID 66592995) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
PubChem CID66592995
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(C2C3CC4CC(C3)CC2C4)C(=O)N1C
InChIInChI=1S/C17H28N2O/c1-10(2)15-9-19(17(20)18(15)3)16-13-5-11-4-12(7-13)8-14(16)6-11/h10-16H,4-9H2,1-3H3
InChIKeyXXLXDTGJEATQOW-UHFFFAOYSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one (CID 66592995) is 1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one is CC(C)C1CN(C2C3CC4CC(C3)CC2C4)C(=O)N1C.
What is the InChIKey of 1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The InChIKey is XXLXDTGJEATQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-10(2)15-9-19(17(20)18(15)3)16-13-5-11-4-12(7-13)8-14(16)6-11/h10-16H,4-9H2,1-3H3.
What are the key properties of 1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one has a molecular weight of 276.42 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 66592995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).