1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea

C13H18N2O2 — CID 110706691

IUPAC1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea
SMILESCc1ccc(C)c(NC(=O)NC2CCCO2)c1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-10(2)11(8-9)14-13(16)15-12-4-3-7-17-12/h5-6,8,12H,3-4,7H2,1-2H3,(H2,14,15,16)
InChIKeyILJWYZUPMAZRIB-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.56
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea

1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea (PubChem CID 110706691) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea
PubChem CID110706691
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea
SMILESCc1ccc(C)c(NC(=O)NC2CCCO2)c1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-10(2)11(8-9)14-13(16)15-12-4-3-7-17-12/h5-6,8,12H,3-4,7H2,1-2H3,(H2,14,15,16)
InChIKeyILJWYZUPMAZRIB-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-3-(oxolan-2-yl)urea
CID 110706685
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
1-(oxolan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 110706700
N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016066
1-(2,3-dihydro-1H-inden-2-yl)-3-(2,5-dimethylphenyl)urea
CID 23795651
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
CID 110706711
N-[2-[(2,5-dimethylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4916607
1-(2,5-dimethylphenyl)-3-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]urea
CID 97255707
1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea
CID 143698611
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea (CID 110706691) is 1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea is Cc1ccc(C)c(NC(=O)NC2CCCO2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea?
The InChIKey is ILJWYZUPMAZRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-6-10(2)11(8-9)14-13(16)15-12-4-3-7-17-12/h5-6,8,12H,3-4,7H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea?
1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea has a molecular weight of 234.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea is sourced from PubChem (CID 110706691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).