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

C28H26N4O2 — CID 1239967

IUPAC1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C28H26N4O2/c1-19-5-3-7-25(17-19)31-27(33)29-23-13-9-21(10-14-23)22-11-15-24(16-12-22)30-28(34)32-26-8-4-6-20(2)18-26/h3-18H,1-2H3,(H2,29,31,33)(H2,30,32,34)
InChIKeyVVAHXEJKZIVTEN-UHFFFAOYSA-N
MW450.54 g/mol
LogP7.26
Rot. Bonds5

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

1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea (PubChem CID 1239967) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
PubChem CID1239967
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C28H26N4O2/c1-19-5-3-7-25(17-19)31-27(33)29-23-13-9-21(10-14-23)22-11-15-24(16-12-22)30-28(34)32-26-8-4-6-20(2)18-26/h3-18H,1-2H3,(H2,29,31,33)(H2,30,32,34)
InChIKeyVVAHXEJKZIVTEN-UHFFFAOYSA-N
XLogP7.26
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 57.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea with MolForge

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Related Compounds

1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
CID 36517218
1-(3-methylphenyl)-3-[4-(2H-pyrrol-4-yl)phenyl]urea
CID 157150438
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46380970
N-(3-methylphenyl)acetamide
CID 10843
[4-[(3-methylphenyl)carbamoylamino]phenyl] thiocyanate
CID 108887985
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 108888002

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea (CID 1239967) is 1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea is Cc1cccc(NC(=O)Nc2ccc(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)cc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea?
The InChIKey is VVAHXEJKZIVTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-19-5-3-7-25(17-19)31-27(33)29-23-13-9-21(10-14-23)22-11-15-24(16-12-22)30-28(34)32-26-8-4-6-20(2)18-26/h3-18H,1-2H3,(H2,29,31,33)(H2,30,32,34).
What are the key properties of 1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea?
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea has a molecular weight of 450.54 g/mol, XLogP of 7.26, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea is sourced from PubChem (CID 1239967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).