(4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one

C18H30N2O — CID 58324644

IUPAC(4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(C2C3CC4CC(C3)CC2C4)C[C@@H]1C(C)(C)C
InChIInChI=1S/C18H30N2O/c1-18(2,3)15-10-20(17(21)19(15)4)16-13-6-11-5-12(8-13)9-14(16)7-11/h11-16H,5-10H2,1-4H3/t11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyLCMFOHRTPUJGLL-BAPHQMLMSA-N
MW290.45 g/mol
LogP3.59
Rot. Bonds1

About (4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one

(4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one (PubChem CID 58324644) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one
PubChem CID58324644
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(C2C3CC4CC(C3)CC2C4)C[C@@H]1C(C)(C)C
InChIInChI=1S/C18H30N2O/c1-18(2,3)15-10-20(17(21)19(15)4)16-13-6-11-5-12(8-13)9-14(16)7-11/h11-16H,5-10H2,1-4H3/t11?,12?,13?,14?,15-,16?/m1/s1
InChIKeyLCMFOHRTPUJGLL-BAPHQMLMSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one?
The IUPAC name of (4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one (CID 58324644) is (4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one?
The canonical SMILES for (4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one is CN1C(=O)N(C2C3CC4CC(C3)CC2C4)C[C@@H]1C(C)(C)C.
What is the InChIKey of (4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one?
The InChIKey is LCMFOHRTPUJGLL-BAPHQMLMSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,3)15-10-20(17(21)19(15)4)16-13-6-11-5-12(8-13)9-14(16)7-11/h11-16H,5-10H2,1-4H3/t11?,12?,13?,14?,15-,16?/m1/s1.
What are the key properties of (4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one?
(4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one has a molecular weight of 290.45 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one is sourced from PubChem (CID 58324644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).