bis(1-tert-butyl-1-methylurea);toluene

C19H36N4O2 — CID 70304434

IUPACbis(1-tert-butyl-1-methylurea);toluene
SMILESCN(C(N)=O)C(C)(C)C.CN(C(N)=O)C(C)(C)C.Cc1ccccc1
InChIInChI=1S/C7H8.2C6H14N2O/c1-7-5-3-2-4-6-7;2*1-6(2,3)8(4)5(7)9/h2-6H,1H3;2*1-4H3,(H2,7,9)
InChIKeyHXMUFAKDIBCXRH-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.59
Rot. Bonds

About bis(1-tert-butyl-1-methylurea);toluene

bis(1-tert-butyl-1-methylurea);toluene (PubChem CID 70304434) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is bis(1-tert-butyl-1-methylurea);toluene.

Molecular Properties

Compound Namebis(1-tert-butyl-1-methylurea);toluene
PubChem CID70304434
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Namebis(1-tert-butyl-1-methylurea);toluene
SMILESCN(C(N)=O)C(C)(C)C.CN(C(N)=O)C(C)(C)C.Cc1ccccc1
InChIInChI=1S/C7H8.2C6H14N2O/c1-7-5-3-2-4-6-7;2*1-6(2,3)8(4)5(7)9/h2-6H,1H3;2*1-4H3,(H2,7,9)
InChIKeyHXMUFAKDIBCXRH-UHFFFAOYSA-N
XLogP3.59
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-1-methylurea);toluene?
The IUPAC name of bis(1-tert-butyl-1-methylurea);toluene (CID 70304434) is bis(1-tert-butyl-1-methylurea);toluene.
What is the SMILES notation for bis(1-tert-butyl-1-methylurea);toluene?
The canonical SMILES for bis(1-tert-butyl-1-methylurea);toluene is CN(C(N)=O)C(C)(C)C.CN(C(N)=O)C(C)(C)C.Cc1ccccc1.
What is the InChIKey of bis(1-tert-butyl-1-methylurea);toluene?
The InChIKey is HXMUFAKDIBCXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C6H14N2O/c1-7-5-3-2-4-6-7;2*1-6(2,3)8(4)5(7)9/h2-6H,1H3;2*1-4H3,(H2,7,9).
What are the key properties of bis(1-tert-butyl-1-methylurea);toluene?
bis(1-tert-butyl-1-methylurea);toluene has a molecular weight of 352.52 g/mol, XLogP of 3.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-1-methylurea);toluene is sourced from PubChem (CID 70304434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).