benzene;1,3-diethylurea;ethane

C19H42N2O — CID 161245020

IUPACbenzene;1,3-diethylurea;ethane
SMILESCC.CC.CC.CC.CCNC(=O)NCC.c1ccccc1
InChIInChI=1S/C6H6.C5H12N2O.4C2H6/c1-2-4-6-5-3-1;1-3-6-5(8)7-4-2;4*1-2/h1-6H;3-4H2,1-2H3,(H2,6,7,8);4*1-2H3
InChIKeyVANBYZRSROUYAA-UHFFFAOYSA-N
MW314.56 g/mol
LogP6.12
Rot. Bonds2

About benzene;1,3-diethylurea;ethane

benzene;1,3-diethylurea;ethane (PubChem CID 161245020) has the molecular formula C19H42N2O and a molecular weight of 314.56 g/mol. Its IUPAC name is benzene;1,3-diethylurea;ethane.

Molecular Properties

Compound Namebenzene;1,3-diethylurea;ethane
PubChem CID161245020
Molecular FormulaC19H42N2O
Molecular Weight314.56 g/mol
Exact Mass314.33
IUPAC Namebenzene;1,3-diethylurea;ethane
SMILESCC.CC.CC.CC.CCNC(=O)NCC.c1ccccc1
InChIInChI=1S/C6H6.C5H12N2O.4C2H6/c1-2-4-6-5-3-1;1-3-6-5(8)7-4-2;4*1-2/h1-6H;3-4H2,1-2H3,(H2,6,7,8);4*1-2H3
InChIKeyVANBYZRSROUYAA-UHFFFAOYSA-N
XLogP6.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;1,3-diethylurea;ethane?
The IUPAC name of benzene;1,3-diethylurea;ethane (CID 161245020) 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.CC.CC.CCNC(=O)NCC.c1ccccc1.
What is the InChIKey of benzene;1,3-diethylurea;ethane?
The InChIKey is VANBYZRSROUYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H12N2O.4C2H6/c1-2-4-6-5-3-1;1-3-6-5(8)7-4-2;4*1-2/h1-6H;3-4H2,1-2H3,(H2,6,7,8);4*1-2H3.
What are the key properties of benzene;1,3-diethylurea;ethane?
benzene;1,3-diethylurea;ethane has a molecular weight of 314.56 g/mol, XLogP of 6.12, 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 161245020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).