1-ethyl-3-phenylurea

C9H12N2O — CID 12115

IUPAC1-ethyl-3-phenylurea
SMILESCCNC(=O)Nc1ccccc1
InChIInChI=1S/C9H12N2O/c1-2-10-9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11,12)
InChIKeyXUFXDODGXLVPNJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.83
Rot. Bonds2

About 1-ethyl-3-phenylurea

1-ethyl-3-phenylurea (PubChem CID 12115) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-ethyl-3-phenylurea.

Molecular Properties

Compound Name1-ethyl-3-phenylurea
PubChem CID12115
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-ethyl-3-phenylurea
SMILESCCNC(=O)Nc1ccccc1
InChIInChI=1S/C9H12N2O/c1-2-10-9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11,12)
InChIKeyXUFXDODGXLVPNJ-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenylurea?
The IUPAC name of 1-ethyl-3-phenylurea (CID 12115) is 1-ethyl-3-phenylurea.
What is the SMILES notation for 1-ethyl-3-phenylurea?
The canonical SMILES for 1-ethyl-3-phenylurea is CCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-ethyl-3-phenylurea?
The InChIKey is XUFXDODGXLVPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-10-9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11,12).
What are the key properties of 1-ethyl-3-phenylurea?
1-ethyl-3-phenylurea has a molecular weight of 164.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenylurea is sourced from PubChem (CID 12115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).