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

C14H26N2O4 — CID 546587

IUPACtert-butyl 2-tert-butyl-5-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate
SMILESCOC1C(=O)N(C)C(C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)11-15(7)9(17)10(19-8)16(11)12(18)20-14(4,5)6/h10-11H,1-8H3
InChIKeyPAWMOGMGSSKSBW-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.04
Rot. Bonds1

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

tert-butyl 2-tert-butyl-5-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate (PubChem CID 546587) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 2-tert-butyl-5-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tert-butyl-5-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate
PubChem CID546587
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl 2-tert-butyl-5-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate
SMILESCOC1C(=O)N(C)C(C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)11-15(7)9(17)10(19-8)16(11)12(18)20-14(4,5)6/h10-11H,1-8H3
InChIKeyPAWMOGMGSSKSBW-UHFFFAOYSA-N
XLogP2.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.04
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-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-tert-butyl-5-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate (CID 546587) is tert-butyl 2-tert-butyl-5-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-tert-butyl-5-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-tert-butyl-5-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate is COC1C(=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-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate?
The InChIKey is PAWMOGMGSSKSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2,3)11-15(7)9(17)10(19-8)16(11)12(18)20-14(4,5)6/h10-11H,1-8H3.
What are the key properties of tert-butyl 2-tert-butyl-5-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate?
tert-butyl 2-tert-butyl-5-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 2.04, 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-methoxy-3-methyl-4-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 546587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).