1-benzyl-3-(oxolan-2-ylmethyl)urea

C13H18N2O2 — CID 10633458

IUPAC1-benzyl-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCc1ccccc1)NCC1CCCO1
InChIInChI=1S/C13H18N2O2/c16-13(15-10-12-7-4-8-17-12)14-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,14,15,16)
InChIKeyBZKOEHUTTIPHAB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.66
Rot. Bonds4

About 1-benzyl-3-(oxolan-2-ylmethyl)urea

1-benzyl-3-(oxolan-2-ylmethyl)urea (PubChem CID 10633458) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-benzyl-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(oxolan-2-ylmethyl)urea
PubChem CID10633458
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-benzyl-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCc1ccccc1)NCC1CCCO1
InChIInChI=1S/C13H18N2O2/c16-13(15-10-12-7-4-8-17-12)14-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,14,15,16)
InChIKeyBZKOEHUTTIPHAB-UHFFFAOYSA-N
XLogP1.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-(oxolan-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-(oxolan-2-ylmethyl)urea (CID 10633458) is 1-benzyl-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-(oxolan-2-ylmethyl)urea is O=C(NCc1ccccc1)NCC1CCCO1.
What is the InChIKey of 1-benzyl-3-(oxolan-2-ylmethyl)urea?
The InChIKey is BZKOEHUTTIPHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(15-10-12-7-4-8-17-12)14-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,14,15,16).
What are the key properties of 1-benzyl-3-(oxolan-2-ylmethyl)urea?
1-benzyl-3-(oxolan-2-ylmethyl)urea has a molecular weight of 234.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 10633458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).