1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea

C17H20N2O2 — CID 658696

IUPAC1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea
SMILESCOCCN(C(=O)Nc1ccccc1)c1ccccc1C
InChIInChI=1S/C17H20N2O2/c1-14-8-6-7-11-16(14)19(12-13-21-2)17(20)18-15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyKBLOAQRFICXYAU-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.68
Rot. Bonds5

About 1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea

1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea (PubChem CID 658696) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea
PubChem CID658696
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea
SMILESCOCCN(C(=O)Nc1ccccc1)c1ccccc1C
InChIInChI=1S/C17H20N2O2/c1-14-8-6-7-11-16(14)19(12-13-21-2)17(20)18-15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyKBLOAQRFICXYAU-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea 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-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea?
The IUPAC name of 1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea (CID 658696) is 1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea?
The canonical SMILES for 1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea is COCCN(C(=O)Nc1ccccc1)c1ccccc1C.
What is the InChIKey of 1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea?
The InChIKey is KBLOAQRFICXYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-14-8-6-7-11-16(14)19(12-13-21-2)17(20)18-15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,18,20).
What are the key properties of 1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea?
1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea has a molecular weight of 284.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-(2-methylphenyl)-3-phenylurea is sourced from PubChem (CID 658696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).