1,1-diethyl-3-phenylurea

C11H16N2O — CID 13906

IUPAC1,1-diethyl-3-phenylurea
SMILESCCN(CC)C(=O)Nc1ccccc1
InChIInChI=1S/C11H16N2O/c1-3-13(4-2)11(14)12-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,12,14)
InChIKeyZFJBSYYIOPSWAE-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.56
Rot. Bonds3

About 1,1-diethyl-3-phenylurea

1,1-diethyl-3-phenylurea (PubChem CID 13906) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,1-diethyl-3-phenylurea.

Molecular Properties

Compound Name1,1-diethyl-3-phenylurea
PubChem CID13906
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1,1-diethyl-3-phenylurea
SMILESCCN(CC)C(=O)Nc1ccccc1
InChIInChI=1S/C11H16N2O/c1-3-13(4-2)11(14)12-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,12,14)
InChIKeyZFJBSYYIOPSWAE-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-phenylurea?
The IUPAC name of 1,1-diethyl-3-phenylurea (CID 13906) is 1,1-diethyl-3-phenylurea.
What is the SMILES notation for 1,1-diethyl-3-phenylurea?
The canonical SMILES for 1,1-diethyl-3-phenylurea is CCN(CC)C(=O)Nc1ccccc1.
What is the InChIKey of 1,1-diethyl-3-phenylurea?
The InChIKey is ZFJBSYYIOPSWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-13(4-2)11(14)12-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 1,1-diethyl-3-phenylurea?
1,1-diethyl-3-phenylurea has a molecular weight of 192.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-phenylurea is sourced from PubChem (CID 13906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).