bis(1,3-diethylurea);toluene

C17H32N4O2 — CID 131716201

IUPACbis(1,3-diethylurea);toluene
SMILESCCNC(=O)NCC.CCNC(=O)NCC.Cc1ccccc1
InChIInChI=1S/C7H8.2C5H12N2O/c1-7-5-3-2-4-6-7;2*1-3-6-5(8)7-4-2/h2-6H,1H3;2*3-4H2,1-2H3,(H2,6,7,8)
InChIKeyCJJZNVDPLSOOAH-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.65
Rot. Bonds4

About bis(1,3-diethylurea);toluene

bis(1,3-diethylurea);toluene (PubChem CID 131716201) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is bis(1,3-diethylurea);toluene.

Molecular Properties

Compound Namebis(1,3-diethylurea);toluene
PubChem CID131716201
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Namebis(1,3-diethylurea);toluene
SMILESCCNC(=O)NCC.CCNC(=O)NCC.Cc1ccccc1
InChIInChI=1S/C7H8.2C5H12N2O/c1-7-5-3-2-4-6-7;2*1-3-6-5(8)7-4-2/h2-6H,1H3;2*3-4H2,1-2H3,(H2,6,7,8)
InChIKeyCJJZNVDPLSOOAH-UHFFFAOYSA-N
XLogP2.65
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
Phenethylurea
CID 75089
N,N'-Bis(2-phenylethyl)urea
CID 95244
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
N-(tert-butyl)-N'-phenethylurea
CID 306674
1-Butan-2-yl-3-(3-phenylpropyl)urea
CID 45366530
1-Benzyl-3-[3-[4-[3-(benzylcarbamoylamino)propylamino]butylamino]propyl]urea
CID 46867798
1-[(2S)-butan-2-yl]-3-(3-phenylpropyl)urea
CID 93534208
1-[(1S)-1-cyclohexylethyl]-3-(3-phenylpropyl)urea
CID 127044775
1-[(1R)-1-cyclohexylethyl]-3-(3-phenylpropyl)urea
CID 127044776
1-(2-Methylcyclohexyl)-3-(4-phenylbutyl)urea
CID 127581905
N-(3-Phenylpropyl)urea
CID 212818

Frequently Asked Questions

What is the IUPAC name of bis(1,3-diethylurea);toluene?
The IUPAC name of bis(1,3-diethylurea);toluene (CID 131716201) is bis(1,3-diethylurea);toluene.
What is the SMILES notation for bis(1,3-diethylurea);toluene?
The canonical SMILES for bis(1,3-diethylurea);toluene is CCNC(=O)NCC.CCNC(=O)NCC.Cc1ccccc1.
What is the InChIKey of bis(1,3-diethylurea);toluene?
The InChIKey is CJJZNVDPLSOOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C5H12N2O/c1-7-5-3-2-4-6-7;2*1-3-6-5(8)7-4-2/h2-6H,1H3;2*3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of bis(1,3-diethylurea);toluene?
bis(1,3-diethylurea);toluene has a molecular weight of 324.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-diethylurea);toluene is sourced from PubChem (CID 131716201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).