1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea

C22H22N2O — CID 146076602

IUPAC1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2cccc(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C22H22N2O/c1-16-6-10-19(11-7-16)20-5-3-4-18(14-20)15-23-22(25)24-21-12-8-17(2)9-13-21/h3-14H,15H2,1-2H3,(H2,23,24,25)
InChIKeyZFAJADCPXLLOJE-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.29
Rot. Bonds4

About 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea

1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea (PubChem CID 146076602) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
PubChem CID146076602
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2cccc(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C22H22N2O/c1-16-6-10-19(11-7-16)20-5-3-4-18(14-20)15-23-22(25)24-21-12-8-17(2)9-13-21/h3-14H,15H2,1-2H3,(H2,23,24,25)
InChIKeyZFAJADCPXLLOJE-UHFFFAOYSA-N
XLogP5.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4531191
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea
CID 23987254
1-[[3-(azepan-1-ylmethyl)phenyl]methyl]-3-(4-methylphenyl)urea
CID 52797114
1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea
CID 67763936
1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea
CID 142000111
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898790
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea (CID 146076602) is 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea is Cc1ccc(NC(=O)NCc2cccc(-c3ccc(C)cc3)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea?
The InChIKey is ZFAJADCPXLLOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16-6-10-19(11-7-16)20-5-3-4-18(14-20)15-23-22(25)24-21-12-8-17(2)9-13-21/h3-14H,15H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea?
1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea has a molecular weight of 330.43 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea is sourced from PubChem (CID 146076602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).