1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea

C14H20N2O2 — CID 130792779

IUPAC1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea
SMILESCC1(C)CC(NC(=O)NCc2ccccc2)CO1
InChIInChI=1S/C14H20N2O2/c1-14(2)8-12(10-18-14)16-13(17)15-9-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H2,15,16,17)
InChIKeyHFFFLWVEGPOZMA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.05
Rot. Bonds3

About 1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea

1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea (PubChem CID 130792779) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea
PubChem CID130792779
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea
SMILESCC1(C)CC(NC(=O)NCc2ccccc2)CO1
InChIInChI=1S/C14H20N2O2/c1-14(2)8-12(10-18-14)16-13(17)15-9-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H2,15,16,17)
InChIKeyHFFFLWVEGPOZMA-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
CID 11138618
2-[(5,5-dimethyloxolan-3-yl)carbamoylamino]acetic acid
CID 131218860
1-benzyl-3-(2,2-diethyloxan-4-yl)urea
CID 103867854
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24664741
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide
CID 114929283
1-benzyl-3-spiro[2.4]heptan-2-ylurea
CID 131137817
1-benzyl-3-(2,2-dimethylcyclohexyl)urea
CID 103751631
5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide
CID 138993064
1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea
CID 107653993
1-benzyl-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]urea
CID 102255225

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea?
The IUPAC name of 1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea (CID 130792779) is 1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea.
What is the SMILES notation for 1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea?
The canonical SMILES for 1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea is CC1(C)CC(NC(=O)NCc2ccccc2)CO1.
What is the InChIKey of 1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea?
The InChIKey is HFFFLWVEGPOZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)8-12(10-18-14)16-13(17)15-9-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea?
1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea has a molecular weight of 248.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea is sourced from PubChem (CID 130792779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).