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

C8H17N3O2 — CID 130010985

IUPAC1-(tert-butylcarbamoyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)C(=O)NC(C)(C)C
InChIInChI=1S/C8H17N3O2/c1-8(2,3)10-7(13)11(5)6(12)9-4/h1-5H3,(H,9,12)(H,10,13)
InChIKeyKAWOVPHAYCQWIB-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.77
Rot. Bonds

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

1-(tert-butylcarbamoyl)-1,3-dimethylurea (PubChem CID 130010985) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(tert-butylcarbamoyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(tert-butylcarbamoyl)-1,3-dimethylurea
PubChem CID130010985
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1-(tert-butylcarbamoyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)C(=O)NC(C)(C)C
InChIInChI=1S/C8H17N3O2/c1-8(2,3)10-7(13)11(5)6(12)9-4/h1-5H3,(H,9,12)(H,10,13)
InChIKeyKAWOVPHAYCQWIB-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

Analyze 1-(tert-butylcarbamoyl)-1,3-dimethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylcarbamoyl)-1,3-dimethylurea?
The IUPAC name of 1-(tert-butylcarbamoyl)-1,3-dimethylurea (CID 130010985) is 1-(tert-butylcarbamoyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(tert-butylcarbamoyl)-1,3-dimethylurea?
The canonical SMILES for 1-(tert-butylcarbamoyl)-1,3-dimethylurea is CNC(=O)N(C)C(=O)NC(C)(C)C.
What is the InChIKey of 1-(tert-butylcarbamoyl)-1,3-dimethylurea?
The InChIKey is KAWOVPHAYCQWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-8(2,3)10-7(13)11(5)6(12)9-4/h1-5H3,(H,9,12)(H,10,13).
What are the key properties of 1-(tert-butylcarbamoyl)-1,3-dimethylurea?
1-(tert-butylcarbamoyl)-1,3-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 1-(tert-butylcarbamoyl)-1,3-dimethylurea is sourced from PubChem (CID 130010985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).