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

C15H22N2O2 — CID 6465713

IUPAC1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCc1cc(C)cc(NC(=O)NC(C)C2CCCO2)c1
InChIInChI=1S/C15H22N2O2/c1-10-7-11(2)9-13(8-10)17-15(18)16-12(3)14-5-4-6-19-14/h7-9,12,14H,4-6H2,1-3H3,(H2,16,17,18)
InChIKeyITIKCTHGVYUHHY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.99
Rot. Bonds3

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

1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 6465713) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID6465713
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCc1cc(C)cc(NC(=O)NC(C)C2CCCO2)c1
InChIInChI=1S/C15H22N2O2/c1-10-7-11(2)9-13(8-10)17-15(18)16-12(3)14-5-4-6-19-14/h7-9,12,14H,4-6H2,1-3H3,(H2,16,17,18)
InChIKeyITIKCTHGVYUHHY-UHFFFAOYSA-N
XLogP2.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea (CID 6465713) is 1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea is Cc1cc(C)cc(NC(=O)NC(C)C2CCCO2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is ITIKCTHGVYUHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-7-11(2)9-13(8-10)17-15(18)16-12(3)14-5-4-6-19-14/h7-9,12,14H,4-6H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 262.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 6465713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).