(4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one

C19H36N2O — CID 70861269

IUPAC(4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one
SMILESCCC1CC(C)CC(C(C)N2C[C@H](C(C)(C)C)N(C)C2=O)C1
InChIInChI=1S/C19H36N2O/c1-8-15-9-13(2)10-16(11-15)14(3)21-12-17(19(4,5)6)20(7)18(21)22/h13-17H,8-12H2,1-7H3/t13?,14?,15?,16?,17-/m1/s1
InChIKeyIUEXEWLYAWGHPC-RXXRUYGPSA-N
MW308.51 g/mol
LogP4.62
Rot. Bonds3

About (4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one

(4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one (PubChem CID 70861269) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is (4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one
PubChem CID70861269
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name(4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one
SMILESCCC1CC(C)CC(C(C)N2C[C@H](C(C)(C)C)N(C)C2=O)C1
InChIInChI=1S/C19H36N2O/c1-8-15-9-13(2)10-16(11-15)14(3)21-12-17(19(4,5)6)20(7)18(21)22/h13-17H,8-12H2,1-7H3/t13?,14?,15?,16?,17-/m1/s1
InChIKeyIUEXEWLYAWGHPC-RXXRUYGPSA-N
XLogP4.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one?
The IUPAC name of (4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one (CID 70861269) is (4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for (4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one?
The canonical SMILES for (4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one is CCC1CC(C)CC(C(C)N2C[C@H](C(C)(C)C)N(C)C2=O)C1.
What is the InChIKey of (4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one?
The InChIKey is IUEXEWLYAWGHPC-RXXRUYGPSA-N. The full InChI is InChI=1S/C19H36N2O/c1-8-15-9-13(2)10-16(11-15)14(3)21-12-17(19(4,5)6)20(7)18(21)22/h13-17H,8-12H2,1-7H3/t13?,14?,15?,16?,17-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one?
(4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one has a molecular weight of 308.51 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 70861269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).