1,1,3,3-tetraethylurea

C9H20N2O — CID 14465

IUPAC1,1,3,3-tetraethylurea
SMILESCCN(CC)C(=O)N(CC)CC
InChIInChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3
InChIKeyUWHSPZZUAYSGTB-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.79
Rot. Bonds4

About 1,1,3,3-tetraethylurea

1,1,3,3-tetraethylurea (PubChem CID 14465) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,1,3,3-tetraethylurea.

Molecular Properties

Compound Name1,1,3,3-tetraethylurea
PubChem CID14465
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1,1,3,3-tetraethylurea
SMILESCCN(CC)C(=O)N(CC)CC
InChIInChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3
InChIKeyUWHSPZZUAYSGTB-UHFFFAOYSA-N
XLogP1.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetraethylurea?
The IUPAC name of 1,1,3,3-tetraethylurea (CID 14465) is 1,1,3,3-tetraethylurea.
What is the SMILES notation for 1,1,3,3-tetraethylurea?
The canonical SMILES for 1,1,3,3-tetraethylurea is CCN(CC)C(=O)N(CC)CC.
What is the InChIKey of 1,1,3,3-tetraethylurea?
The InChIKey is UWHSPZZUAYSGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of 1,1,3,3-tetraethylurea?
1,1,3,3-tetraethylurea has a molecular weight of 172.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetraethylurea is sourced from PubChem (CID 14465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).