benzene;1,3-dimethylurea;ethane

C11H20N2O — CID 90884129

IUPACbenzene;1,3-dimethylurea;ethane
SMILESCC.CNC(=O)NC.c1ccccc1
InChIInChI=1S/C6H6.C3H8N2O.C2H6/c1-2-4-6-5-3-1;1-4-3(6)5-2;1-2/h1-6H;1-2H3,(H2,4,5,6);1-2H3
InChIKeyPHTHDNNTICCMIK-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.26
Rot. Bonds

About benzene;1,3-dimethylurea;ethane

benzene;1,3-dimethylurea;ethane (PubChem CID 90884129) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is benzene;1,3-dimethylurea;ethane.

Molecular Properties

Compound Namebenzene;1,3-dimethylurea;ethane
PubChem CID90884129
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Namebenzene;1,3-dimethylurea;ethane
SMILESCC.CNC(=O)NC.c1ccccc1
InChIInChI=1S/C6H6.C3H8N2O.C2H6/c1-2-4-6-5-3-1;1-4-3(6)5-2;1-2/h1-6H;1-2H3,(H2,4,5,6);1-2H3
InChIKeyPHTHDNNTICCMIK-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-Diphenylphosphanyl-1,3-dimethylurea
CID 86209886
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1,3-Dimethyl-1-[[methyl(methylcarbamoyl)amino]-diphenylsilyl]urea
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Benzene;1,1-dimethyl-3-propan-2-ylurea
CID 20363267
Benzene;1-methyl-3-propan-2-ylurea
CID 20363277
1,3-Dimethyl-1-phenylsulfanylurea
CID 21316660
CID 21328209
CID 21328209
Benzene;methylurea
CID 21413609
1-Methyl-3-phenylsulfanylurea
CID 22299049
N-Methylacetamide--benzene (1/1)
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benzene;ethane;N-methylmethanamine
CID 53795500

Frequently Asked Questions

What is the IUPAC name of benzene;1,3-dimethylurea;ethane?
The IUPAC name of benzene;1,3-dimethylurea;ethane (CID 90884129) 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.
What is the InChIKey of benzene;1,3-dimethylurea;ethane?
The InChIKey is PHTHDNNTICCMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H8N2O.C2H6/c1-2-4-6-5-3-1;1-4-3(6)5-2;1-2/h1-6H;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 196.29 g/mol, XLogP of 2.26, 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 90884129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).