1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea

C22H22N2O2 — CID 168974151

IUPAC1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea
SMILESCOc1cccc(-c2ccc(NC(=O)Nc3cc(C)ccc3C)cc2)c1
InChIInChI=1S/C22H22N2O2/c1-15-7-8-16(2)21(13-15)24-22(25)23-19-11-9-17(10-12-19)18-5-4-6-20(14-18)26-3/h4-14H,1-3H3,(H2,23,24,25)
InChIKeyXHSUNUKKNVRGLA-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.62
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea

1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea (PubChem CID 168974151) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea
PubChem CID168974151
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea
SMILESCOc1cccc(-c2ccc(NC(=O)Nc3cc(C)ccc3C)cc2)c1
InChIInChI=1S/C22H22N2O2/c1-15-7-8-16(2)21(13-15)24-22(25)23-19-11-9-17(10-12-19)18-5-4-6-20(14-18)26-3/h4-14H,1-3H3,(H2,23,24,25)
InChIKeyXHSUNUKKNVRGLA-UHFFFAOYSA-N
XLogP5.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 168974118
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298
1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666
1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 43806631
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
CID 108991326
1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1,3-bis(4-methylphenyl)urea;ethane;2-methoxy-4-(3-methoxy-4-methylphenyl)-1-methylbenzene;methyl methanesulfonate;1-methyl-4-(4-methylphenyl)benzene
CID 159146060
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea (CID 168974151) is 1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea is COc1cccc(-c2ccc(NC(=O)Nc3cc(C)ccc3C)cc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea?
The InChIKey is XHSUNUKKNVRGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-7-8-16(2)21(13-15)24-22(25)23-19-11-9-17(10-12-19)18-5-4-6-20(14-18)26-3/h4-14H,1-3H3,(H2,23,24,25).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea?
1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea has a molecular weight of 346.43 g/mol, XLogP of 5.62, 4 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-[4-(3-methoxyphenyl)phenyl]urea is sourced from PubChem (CID 168974151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).