3-(carbamoylcarbamoyl)-1,1-dimethylurea

C5H10N4O3 — CID 87564247

IUPAC3-(carbamoylcarbamoyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC(=O)NC(N)=O
InChIInChI=1S/C5H10N4O3/c1-9(2)5(12)8-4(11)7-3(6)10/h1-2H3,(H4,6,7,8,10,11,12)
InChIKeyROOJTHWWUWLYCT-UHFFFAOYSA-N
MW174.16 g/mol
LogP-0.95
Rot. Bonds

About 3-(carbamoylcarbamoyl)-1,1-dimethylurea

3-(carbamoylcarbamoyl)-1,1-dimethylurea (PubChem CID 87564247) has the molecular formula C5H10N4O3 and a molecular weight of 174.16 g/mol. Its IUPAC name is 3-(carbamoylcarbamoyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(carbamoylcarbamoyl)-1,1-dimethylurea
PubChem CID87564247
Molecular FormulaC5H10N4O3
Molecular Weight174.16 g/mol
Exact Mass174.08
IUPAC Name3-(carbamoylcarbamoyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC(=O)NC(N)=O
InChIInChI=1S/C5H10N4O3/c1-9(2)5(12)8-4(11)7-3(6)10/h1-2H3,(H4,6,7,8,10,11,12)
InChIKeyROOJTHWWUWLYCT-UHFFFAOYSA-N
XLogP-0.95
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylcarbamoyl)-1,1-dimethylurea?
The IUPAC name of 3-(carbamoylcarbamoyl)-1,1-dimethylurea (CID 87564247) is 3-(carbamoylcarbamoyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(carbamoylcarbamoyl)-1,1-dimethylurea?
The canonical SMILES for 3-(carbamoylcarbamoyl)-1,1-dimethylurea is CN(C)C(=O)NC(=O)NC(N)=O.
What is the InChIKey of 3-(carbamoylcarbamoyl)-1,1-dimethylurea?
The InChIKey is ROOJTHWWUWLYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O3/c1-9(2)5(12)8-4(11)7-3(6)10/h1-2H3,(H4,6,7,8,10,11,12).
What are the key properties of 3-(carbamoylcarbamoyl)-1,1-dimethylurea?
3-(carbamoylcarbamoyl)-1,1-dimethylurea has a molecular weight of 174.16 g/mol, XLogP of -0.95, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylcarbamoyl)-1,1-dimethylurea is sourced from PubChem (CID 87564247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).