1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea

C14H20N2O2 — CID 46577481

IUPAC1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NCc1ccccc1)C1CCCO1
InChIInChI=1S/C14H20N2O2/c1-11(13-8-5-9-18-13)16-14(17)15-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H2,15,16,17)
InChIKeySYQCDGBJUOGBID-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.05
Rot. Bonds4

About 1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea

1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 46577481) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID46577481
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NCc1ccccc1)C1CCCO1
InChIInChI=1S/C14H20N2O2/c1-11(13-8-5-9-18-13)16-14(17)15-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H2,15,16,17)
InChIKeySYQCDGBJUOGBID-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea (CID 46577481) is 1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)NCc1ccccc1)C1CCCO1.
What is the InChIKey of 1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is SYQCDGBJUOGBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(13-8-5-9-18-13)16-14(17)15-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea?
1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 248.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 46577481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).