1-benzyl-3-ethylurea

C10H14N2O — CID 3046224

IUPAC1-benzyl-3-ethylurea
SMILESCCNC(=O)NCc1ccccc1
InChIInChI=1S/C10H14N2O/c1-2-11-10(13)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12,13)
InChIKeyJUEFDVSMEHYRSK-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.51
Rot. Bonds3

About 1-benzyl-3-ethylurea

1-benzyl-3-ethylurea (PubChem CID 3046224) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-benzyl-3-ethylurea.

Molecular Properties

Compound Name1-benzyl-3-ethylurea
PubChem CID3046224
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-benzyl-3-ethylurea
SMILESCCNC(=O)NCc1ccccc1
InChIInChI=1S/C10H14N2O/c1-2-11-10(13)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12,13)
InChIKeyJUEFDVSMEHYRSK-UHFFFAOYSA-N
XLogP1.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethylurea?
The IUPAC name of 1-benzyl-3-ethylurea (CID 3046224) is 1-benzyl-3-ethylurea.
What is the SMILES notation for 1-benzyl-3-ethylurea?
The canonical SMILES for 1-benzyl-3-ethylurea is CCNC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-ethylurea?
The InChIKey is JUEFDVSMEHYRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-11-10(13)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12,13).
What are the key properties of 1-benzyl-3-ethylurea?
1-benzyl-3-ethylurea has a molecular weight of 178.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethylurea is sourced from PubChem (CID 3046224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).