benzene;bis(1,3-dimethylurea);propane

C21H36N4O2 — CID 91073324

IUPACbenzene;bis(1,3-dimethylurea);propane
SMILESCCC.CNC(=O)NC.CNC(=O)NC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2C3H8N2O.C3H8/c2*1-2-4-6-5-3-1;2*1-4-3(6)5-2;1-3-2/h2*1-6H;2*1-2H3,(H2,4,5,6);3H2,1-2H3
InChIKeyXVUJDVGBNZWBML-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.88
Rot. Bonds

About benzene;bis(1,3-dimethylurea);propane

benzene;bis(1,3-dimethylurea);propane (PubChem CID 91073324) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is benzene;bis(1,3-dimethylurea);propane.

Molecular Properties

Compound Namebenzene;bis(1,3-dimethylurea);propane
PubChem CID91073324
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Namebenzene;bis(1,3-dimethylurea);propane
SMILESCCC.CNC(=O)NC.CNC(=O)NC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2C3H8N2O.C3H8/c2*1-2-4-6-5-3-1;2*1-4-3(6)5-2;1-3-2/h2*1-6H;2*1-2H3,(H2,4,5,6);3H2,1-2H3
InChIKeyXVUJDVGBNZWBML-UHFFFAOYSA-N
XLogP3.88
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-Diphenylphosphanyl-1,3-dimethylurea
CID 86209886
1,3-Dimethyl-1-[[methyl(methylcarbamoyl)amino]-diphenylsilyl]urea
CID 20334392
CID 21328209
CID 21328209
Benzene;methylurea
CID 21413609
1,3-Dimethyl-1-[methyl-[methyl(methylcarbamoyl)amino]-phenylsilyl]urea
CID 54086287
3-[(Dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea
CID 57287984
1,3-Dimethyl-1-phenyltellanylurea
CID 87932984
Benzene;3-cyano-1,1-dimethylurea
CID 88377889
benzene;1,3-dimethylurea;methyl N-methylcarbamate
CID 90708929
benzene;1,3-dimethylurea;methyl N-methylcarbamate;propane
CID 90767957
Benzene;1,3-bis(hydroxymethyl)urea;ethane
CID 90847969
Benzene;1,3-dimethylurea;ethane
CID 90884129

Frequently Asked Questions

What is the IUPAC name of benzene;bis(1,3-dimethylurea);propane?
The IUPAC name of benzene;bis(1,3-dimethylurea);propane (CID 91073324) is benzene;bis(1,3-dimethylurea);propane.
What is the SMILES notation for benzene;bis(1,3-dimethylurea);propane?
The canonical SMILES for benzene;bis(1,3-dimethylurea);propane is CCC.CNC(=O)NC.CNC(=O)NC.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;bis(1,3-dimethylurea);propane?
The InChIKey is XVUJDVGBNZWBML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.2C3H8N2O.C3H8/c2*1-2-4-6-5-3-1;2*1-4-3(6)5-2;1-3-2/h2*1-6H;2*1-2H3,(H2,4,5,6);3H2,1-2H3.
What are the key properties of benzene;bis(1,3-dimethylurea);propane?
benzene;bis(1,3-dimethylurea);propane has a molecular weight of 376.55 g/mol, XLogP of 3.88, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(1,3-dimethylurea);propane is sourced from PubChem (CID 91073324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).