1-benzyl-1-ethoxyurea

C10H14N2O2 — CID 134896761

IUPAC1-benzyl-1-ethoxyurea
SMILESCCON(Cc1ccccc1)C(N)=O
InChIInChI=1S/C10H14N2O2/c1-2-14-12(10(11)13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,13)
InChIKeySMOGPHQLGCBICX-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.52
Rot. Bonds4

About 1-benzyl-1-ethoxyurea

1-benzyl-1-ethoxyurea (PubChem CID 134896761) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-benzyl-1-ethoxyurea.

Molecular Properties

Compound Name1-benzyl-1-ethoxyurea
PubChem CID134896761
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-benzyl-1-ethoxyurea
SMILESCCON(Cc1ccccc1)C(N)=O
InChIInChI=1S/C10H14N2O2/c1-2-14-12(10(11)13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,13)
InChIKeySMOGPHQLGCBICX-UHFFFAOYSA-N
XLogP1.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-ethoxyurea?
The IUPAC name of 1-benzyl-1-ethoxyurea (CID 134896761) is 1-benzyl-1-ethoxyurea.
What is the SMILES notation for 1-benzyl-1-ethoxyurea?
The canonical SMILES for 1-benzyl-1-ethoxyurea is CCON(Cc1ccccc1)C(N)=O.
What is the InChIKey of 1-benzyl-1-ethoxyurea?
The InChIKey is SMOGPHQLGCBICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-14-12(10(11)13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,13).
What are the key properties of 1-benzyl-1-ethoxyurea?
1-benzyl-1-ethoxyurea has a molecular weight of 194.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-ethoxyurea is sourced from PubChem (CID 134896761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).