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

C17H28N2O — CID 24966559

IUPAC(4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(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/t11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyXXLXDTGJEATQOW-BAPHQMLMSA-N
MW276.42 g/mol
LogP3.20
Rot. Bonds2

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

(4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one (PubChem CID 24966559) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
PubChem CID24966559
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(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/t11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyXXLXDTGJEATQOW-BAPHQMLMSA-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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Related Compounds

4-(1-Adamantyl)-1,3-dimethylimidazolidin-2-one
CID 44430184
1-(2-Adamantyl)imidazolidin-2-one
CID 19378861
1,3-Bis(5-methyl-2-propan-2-ylcyclohexyl)imidazolidin-2-one
CID 21263550
N-(2-adamantyl)pyrrolidine-1-carboxamide
CID 23582238
1-Adamantan-2-yl-3-isobutyl-4-isopropyl-imidazolidin-2-one
CID 24966208
1-(2-Adamantyl)-4-(2-methylpropyl)imidazolidin-2-one
CID 24966210
1-(2-Adamantyl)-4-(cyclopropylmethyl)imidazolidin-2-one
CID 24966554
1-Adamantan-2-yl-4,4-dimethyl-imidazolidin-2-one
CID 24966555
Racemic 1-adamantan-2-yl-4-isopropyl-imidazolidin-2-one
CID 24966556
(R)-1-adamantan-2-yl-4-isopropyl-imidazolidin-2-one
CID 24966557
(S)-1-adamantan-2-yl-4-isopropyl-imidazolidin-2-one
CID 24966558
(4R)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
CID 24966560

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of (4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one (CID 24966559) is (4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one is CC(C)[C@H]1CN(C2C3CC4CC(C3)CC2C4)C(=O)N1C.
What is the InChIKey of (4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
The InChIKey is XXLXDTGJEATQOW-BAPHQMLMSA-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/t11?,12?,13?,14?,15-,16?/m1/s1.
What are the key properties of (4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one?
(4S)-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 (4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 24966559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).