benzene;1,3-dimethylurea;ethane

C17H26N2O — CID 90938222

IUPACbenzene;1,3-dimethylurea;ethane
SMILESCC.CNC(=O)NC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C3H8N2O.C2H6/c2*1-2-4-6-5-3-1;1-4-3(6)5-2;1-2/h2*1-6H;1-2H3,(H2,4,5,6);1-2H3
InChIKeyQNERVOKDUCQZBL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.94
Rot. Bonds

About benzene;1,3-dimethylurea;ethane

benzene;1,3-dimethylurea;ethane (PubChem CID 90938222) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is benzene;1,3-dimethylurea;ethane.

Molecular Properties

Compound Namebenzene;1,3-dimethylurea;ethane
PubChem CID90938222
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Namebenzene;1,3-dimethylurea;ethane
SMILESCC.CNC(=O)NC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C3H8N2O.C2H6/c2*1-2-4-6-5-3-1;1-4-3(6)5-2;1-2/h2*1-6H;1-2H3,(H2,4,5,6);1-2H3
InChIKeyQNERVOKDUCQZBL-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-Diphenylphosphanyl-1,3-dimethylurea
CID 86209886
bis(N-methylmethanamine);phenyltellanylbenzene
CID 139266264
bis(N-methylmethanamine);(phenylditellanyl)benzene
CID 139266272
1,3-Bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea
CID 15105654
1,3-Dimethyl-1-[[methyl(methylcarbamoyl)amino]-diphenylsilyl]urea
CID 20334392
Benzene;1-methyl-3-propan-2-ylurea
CID 20363277
CID 21328209
CID 21328209
Benzene;methylurea
CID 21413609
3-[(Dimethylcarbamoylamino)-diphenylsilyl]-1,1-dimethylurea
CID 57287984
1,3-Dimethyl-1-phenyltellanylurea
CID 87932984
Benzene;3-cyano-1,1-dimethylurea
CID 88377889
1,3-Dimethylurea;toluene
CID 90242769

Frequently Asked Questions

What is the IUPAC name of benzene;1,3-dimethylurea;ethane?
The IUPAC name of benzene;1,3-dimethylurea;ethane (CID 90938222) is benzene;1,3-dimethylurea;ethane.
What is the SMILES notation for benzene;1,3-dimethylurea;ethane?
The canonical SMILES for benzene;1,3-dimethylurea;ethane is CC.CNC(=O)NC.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;1,3-dimethylurea;ethane?
The InChIKey is QNERVOKDUCQZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.C3H8N2O.C2H6/c2*1-2-4-6-5-3-1;1-4-3(6)5-2;1-2/h2*1-6H;1-2H3,(H2,4,5,6);1-2H3.
What are the key properties of benzene;1,3-dimethylurea;ethane?
benzene;1,3-dimethylurea;ethane has a molecular weight of 274.41 g/mol, XLogP of 3.94, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,3-dimethylurea;ethane is sourced from PubChem (CID 90938222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).