1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea

C14H20N2O2 — CID 6467733

IUPAC1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
SMILESCc1ccc(NC(=O)NCC2CCCO2)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-13(11(2)8-10)16-14(17)15-9-12-4-3-7-18-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,15,16,17)
InChIKeyUNHDRQSWFCWUIY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.60
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea

1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 6467733) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
PubChem CID6467733
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
SMILESCc1ccc(NC(=O)NCC2CCCO2)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-13(11(2)8-10)16-14(17)15-9-12-4-3-7-18-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,15,16,17)
InChIKeyUNHDRQSWFCWUIY-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47264843
6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096195
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
N-[(2R)-butan-2-yl]-3-methyl-4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]benzamide
CID 95266898
N-[(2S)-butan-2-yl]-3-methyl-4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]benzamide
CID 95266901
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194342
N-(2,4-dimethylphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185179
N-(2,4-dimethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428381
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea (CID 6467733) is 1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea is Cc1ccc(NC(=O)NCC2CCCO2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is UNHDRQSWFCWUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-6-13(11(2)8-10)16-14(17)15-9-12-4-3-7-18-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea?
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 248.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 6467733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).