tert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate

C15H28N2O3 — CID 546578

IUPACtert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate
SMILESCCC1C(=O)N(C)C(C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-9-10-11(18)16(8)12(14(2,3)4)17(10)13(19)20-15(5,6)7/h10,12H,9H2,1-8H3
InChIKeyKQDJVQKYNUMMNE-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds1

About tert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate

tert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate (PubChem CID 546578) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate
PubChem CID546578
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate
SMILESCCC1C(=O)N(C)C(C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-9-10-11(18)16(8)12(14(2,3)4)17(10)13(19)20-15(5,6)7/h10,12H,9H2,1-8H3
InChIKeyKQDJVQKYNUMMNE-UHFFFAOYSA-N
XLogP2.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate (CID 546578) is tert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate is CCC1C(=O)N(C)C(C(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate?
The InChIKey is KQDJVQKYNUMMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-9-10-11(18)16(8)12(14(2,3)4)17(10)13(19)20-15(5,6)7/h10,12H,9H2,1-8H3.
What are the key properties of tert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate?
tert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tert-butyl-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 546578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).