benzene;1,3-diethylurea;ethane

C21H36N2O — CID 91153221

IUPACbenzene;1,3-diethylurea;ethane
SMILESCC.CC.CCNC(=O)NCC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C5H12N2O.2C2H6/c2*1-2-4-6-5-3-1;1-3-6-5(8)7-4-2;2*1-2/h2*1-6H;3-4H2,1-2H3,(H2,6,7,8);2*1-2H3
InChIKeyADFBOKSNOYGNCN-UHFFFAOYSA-N
MW332.53 g/mol
LogP5.75
Rot. Bonds2

About benzene;1,3-diethylurea;ethane

benzene;1,3-diethylurea;ethane (PubChem CID 91153221) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is benzene;1,3-diethylurea;ethane.

Molecular Properties

Compound Namebenzene;1,3-diethylurea;ethane
PubChem CID91153221
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Namebenzene;1,3-diethylurea;ethane
SMILESCC.CC.CCNC(=O)NCC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C5H12N2O.2C2H6/c2*1-2-4-6-5-3-1;1-3-6-5(8)7-4-2;2*1-2/h2*1-6H;3-4H2,1-2H3,(H2,6,7,8);2*1-2H3
InChIKeyADFBOKSNOYGNCN-UHFFFAOYSA-N
XLogP5.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-[Dimethyl(phenyl)silyl]propyl]-1,1-dimethylurea
CID 86178367
1-Diphenylphosphanyl-1,3-dimethylurea
CID 86209886
N-(n-Butyl)-N'-(diphenylphosphinyl)harnstoff
CID 129647173
N-(diphenylphosphoryl)-N'-n-propylurea
CID 155919950
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
N-[1-(Diphenylphosphoryl)butyl]urea
CID 21423533
1,3-Bis(3-phenylprop-2-enyl)urea
CID 70405982
1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea
CID 70855200
1,3-Bis(5-phenylpentyl)urea
CID 89676614
1,3-Bis(7-phenylheptyl)urea
CID 89676789

Frequently Asked Questions

What is the IUPAC name of benzene;1,3-diethylurea;ethane?
The IUPAC name of benzene;1,3-diethylurea;ethane (CID 91153221) is benzene;1,3-diethylurea;ethane.
What is the SMILES notation for benzene;1,3-diethylurea;ethane?
The canonical SMILES for benzene;1,3-diethylurea;ethane is CC.CC.CCNC(=O)NCC.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;1,3-diethylurea;ethane?
The InChIKey is ADFBOKSNOYGNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.C5H12N2O.2C2H6/c2*1-2-4-6-5-3-1;1-3-6-5(8)7-4-2;2*1-2/h2*1-6H;3-4H2,1-2H3,(H2,6,7,8);2*1-2H3.
What are the key properties of benzene;1,3-diethylurea;ethane?
benzene;1,3-diethylurea;ethane has a molecular weight of 332.53 g/mol, XLogP of 5.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,3-diethylurea;ethane is sourced from PubChem (CID 91153221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).