tert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate

C15H25N3O3 — CID 546447

IUPACtert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate
SMILESCN1C(=O)C(CC#N)N(C(=O)OC(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-14(2,3)12-17(7)11(19)10(8-9-16)18(12)13(20)21-15(4,5)6/h10,12H,8H2,1-7H3
InChIKeyUXOHCHMZUURFCQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.35
Rot. Bonds1

About tert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate

tert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate (PubChem CID 546447) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate
PubChem CID546447
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate
SMILESCN1C(=O)C(CC#N)N(C(=O)OC(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-14(2,3)12-17(7)11(19)10(8-9-16)18(12)13(20)21-15(4,5)6/h10,12H,8H2,1-7H3
InChIKeyUXOHCHMZUURFCQ-UHFFFAOYSA-N
XLogP2.35
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate (CID 546447) is tert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate is CN1C(=O)C(CC#N)N(C(=O)OC(C)(C)C)C1C(C)(C)C.
What is the InChIKey of tert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate?
The InChIKey is UXOHCHMZUURFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-14(2,3)12-17(7)11(19)10(8-9-16)18(12)13(20)21-15(4,5)6/h10,12H,8H2,1-7H3.
What are the key properties of tert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate?
tert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tert-butyl-5-(cyanomethyl)-3-methyl-4-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 546447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).