benzene;ethane;1,1,3-trimethylurea

C14H28N2O — CID 91245695

IUPACbenzene;ethane;1,1,3-trimethylurea
SMILESCC.CC.CNC(=O)N(C)C.c1ccccc1
InChIInChI=1S/C6H6.C4H10N2O.2C2H6/c1-2-4-6-5-3-1;1-5-4(7)6(2)3;2*1-2/h1-6H;1-3H3,(H,5,7);2*1-2H3
InChIKeyJCDGJSKRQHENTG-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.63
Rot. Bonds

About benzene;ethane;1,1,3-trimethylurea

benzene;ethane;1,1,3-trimethylurea (PubChem CID 91245695) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is benzene;ethane;1,1,3-trimethylurea.

Molecular Properties

Compound Namebenzene;ethane;1,1,3-trimethylurea
PubChem CID91245695
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Namebenzene;ethane;1,1,3-trimethylurea
SMILESCC.CC.CNC(=O)N(C)C.c1ccccc1
InChIInChI=1S/C6H6.C4H10N2O.2C2H6/c1-2-4-6-5-3-1;1-5-4(7)6(2)3;2*1-2/h1-6H;1-3H3,(H,5,7);2*1-2H3
InChIKeyJCDGJSKRQHENTG-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Te-phenyl N,N-dimethylcarbamotelluroate
CID 11184988
3-[1-[Dimethyl(phenyl)silyl]propyl]-1,1-dimethylurea
CID 86178367
1-Diphenylphosphanyl-1,3-dimethylurea
CID 86209886
Benzene;trimethylazanium;chloride
CID 19853705
Benzene;trimethylazanium;hydroxide
CID 20152062
Benzene;propan-2-ylurea
CID 20243226
Benzene;1,1-dimethyl-3-propan-2-ylurea
CID 20363267
Benzene;1-methyl-3-propan-2-ylurea
CID 20363277
Benzene;trimethylazanium
CID 20438968
1,3-Dimethyl-1-phenylsulfanylurea
CID 21316660
CID 21328209
CID 21328209
Benzene;methylurea
CID 21413609

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;1,1,3-trimethylurea?
The IUPAC name of benzene;ethane;1,1,3-trimethylurea (CID 91245695) is benzene;ethane;1,1,3-trimethylurea.
What is the SMILES notation for benzene;ethane;1,1,3-trimethylurea?
The canonical SMILES for benzene;ethane;1,1,3-trimethylurea is CC.CC.CNC(=O)N(C)C.c1ccccc1.
What is the InChIKey of benzene;ethane;1,1,3-trimethylurea?
The InChIKey is JCDGJSKRQHENTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H10N2O.2C2H6/c1-2-4-6-5-3-1;1-5-4(7)6(2)3;2*1-2/h1-6H;1-3H3,(H,5,7);2*1-2H3.
What are the key properties of benzene;ethane;1,1,3-trimethylurea?
benzene;ethane;1,1,3-trimethylurea has a molecular weight of 240.39 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;1,1,3-trimethylurea is sourced from PubChem (CID 91245695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).