1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea

C13H18N2O2 — CID 115758902

IUPAC1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
SMILESCc1cccc(NC(=O)NC2CCOC2)c1C
InChIInChI=1S/C13H18N2O2/c1-9-4-3-5-12(10(9)2)15-13(16)14-11-6-7-17-8-11/h3-5,11H,6-8H2,1-2H3,(H2,14,15,16)
InChIKeyMBJUZLRWBXLYLJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.21
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea

1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea (PubChem CID 115758902) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
PubChem CID115758902
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
SMILESCc1cccc(NC(=O)NC2CCOC2)c1C
InChIInChI=1S/C13H18N2O2/c1-9-4-3-5-12(10(9)2)15-13(16)14-11-6-7-17-8-11/h3-5,11H,6-8H2,1-2H3,(H2,14,15,16)
InChIKeyMBJUZLRWBXLYLJ-UHFFFAOYSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 113322039
1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 115758945
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
1-(oxolan-3-yl)-3-quinolin-8-ylurea
CID 115759047
1-isoquinolin-8-yl-3-(oxolan-3-yl)urea
CID 115759515
1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea
CID 113322035
1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 6470893
1-(2,5-dimethyl-4-nitrophenyl)-3-(oxolan-3-yl)urea
CID 103145299
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea
CID 113321934
1-[4-[(2R)-butan-2-yl]sulfanyl-2-methylphenyl]-3-[(3S)-oxolan-3-yl]urea
CID 97095767

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea (CID 115758902) is 1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea is Cc1cccc(NC(=O)NC2CCOC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea?
The InChIKey is MBJUZLRWBXLYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-3-5-12(10(9)2)15-13(16)14-11-6-7-17-8-11/h3-5,11H,6-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea?
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea has a molecular weight of 234.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115758902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).