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

C20H34N2O — CID 24966208

IUPAC1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)CN1C(=O)N(C2C3CC4CC(C3)CC2C4)CC1C(C)C
InChIInChI=1S/C20H34N2O/c1-12(2)10-21-18(13(3)4)11-22(20(21)23)19-16-6-14-5-15(8-16)9-17(19)7-14/h12-19H,5-11H2,1-4H3
InChIKeyKWMFRYMYSAJWFA-UHFFFAOYSA-N
MW318.50 g/mol
LogP4.23
Rot. Bonds4

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

1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one (PubChem CID 24966208) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one
PubChem CID24966208
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)CN1C(=O)N(C2C3CC4CC(C3)CC2C4)CC1C(C)C
InChIInChI=1S/C20H34N2O/c1-12(2)10-21-18(13(3)4)11-22(20(21)23)19-16-6-14-5-15(8-16)9-17(19)7-14/h12-19H,5-11H2,1-4H3
InChIKeyKWMFRYMYSAJWFA-UHFFFAOYSA-N
XLogP4.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.23
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-(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
(4S)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
CID 24966559
(4R)-1-(2-adamantyl)-3-methyl-4-propan-2-ylimidazolidin-2-one
CID 24966560

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one (CID 24966208) is 1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one is CC(C)CN1C(=O)N(C2C3CC4CC(C3)CC2C4)CC1C(C)C.
What is the InChIKey of 1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one?
The InChIKey is KWMFRYMYSAJWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-12(2)10-21-18(13(3)4)11-22(20(21)23)19-16-6-14-5-15(8-16)9-17(19)7-14/h12-19H,5-11H2,1-4H3.
What are the key properties of 1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one?
1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one has a molecular weight of 318.50 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-(2-methylpropyl)-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 24966208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).