3-(tert-butylcarbamoyl)-1,1-dimethylurea

C8H17N3O2 — CID 118052568

IUPAC3-(tert-butylcarbamoyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C8H17N3O2/c1-8(2,3)10-6(12)9-7(13)11(4)5/h1-5H3,(H2,9,10,12,13)
InChIKeyJZMDFJPLWPTGEN-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.77
Rot. Bonds

About 3-(tert-butylcarbamoyl)-1,1-dimethylurea

3-(tert-butylcarbamoyl)-1,1-dimethylurea (PubChem CID 118052568) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(tert-butylcarbamoyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(tert-butylcarbamoyl)-1,1-dimethylurea
PubChem CID118052568
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name3-(tert-butylcarbamoyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C8H17N3O2/c1-8(2,3)10-6(12)9-7(13)11(4)5/h1-5H3,(H2,9,10,12,13)
InChIKeyJZMDFJPLWPTGEN-UHFFFAOYSA-N
XLogP0.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylcarbamoyl)-1,1-dimethylurea?
The IUPAC name of 3-(tert-butylcarbamoyl)-1,1-dimethylurea (CID 118052568) is 3-(tert-butylcarbamoyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(tert-butylcarbamoyl)-1,1-dimethylurea?
The canonical SMILES for 3-(tert-butylcarbamoyl)-1,1-dimethylurea is CN(C)C(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylcarbamoyl)-1,1-dimethylurea?
The InChIKey is JZMDFJPLWPTGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-8(2,3)10-6(12)9-7(13)11(4)5/h1-5H3,(H2,9,10,12,13).
What are the key properties of 3-(tert-butylcarbamoyl)-1,1-dimethylurea?
3-(tert-butylcarbamoyl)-1,1-dimethylurea has a molecular weight of 187.24 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylcarbamoyl)-1,1-dimethylurea is sourced from PubChem (CID 118052568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).