1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea

C22H22N2O2 — CID 142000111

IUPAC1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea
SMILESCOc1ccc(-c2ccc(NC(=O)NCc3ccccc3)cc2)cc1C
InChIInChI=1S/C22H22N2O2/c1-16-14-19(10-13-21(16)26-2)18-8-11-20(12-9-18)24-22(25)23-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H2,23,24,25)
InChIKeyGLYJBHZZIHXENU-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.99
Rot. Bonds5

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

1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea (PubChem CID 142000111) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea
PubChem CID142000111
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea
SMILESCOc1ccc(-c2ccc(NC(=O)NCc3ccccc3)cc2)cc1C
InChIInChI=1S/C22H22N2O2/c1-16-14-19(10-13-21(16)26-2)18-8-11-20(12-9-18)24-22(25)23-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H2,23,24,25)
InChIKeyGLYJBHZZIHXENU-UHFFFAOYSA-N
XLogP4.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
CID 146076602
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N-benzyl-4-methoxy-3-methylbenzamide
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1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea
CID 23987254
1-benzyl-3-(2,6-dimethoxyphenyl)urea
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2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
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1-(5-amino-2-methoxyphenyl)-3-benzylurea
CID 107652897
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea?
The IUPAC name of 1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea (CID 142000111) is 1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea?
The canonical SMILES for 1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea is COc1ccc(-c2ccc(NC(=O)NCc3ccccc3)cc2)cc1C.
What is the InChIKey of 1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea?
The InChIKey is GLYJBHZZIHXENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16-14-19(10-13-21(16)26-2)18-8-11-20(12-9-18)24-22(25)23-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea?
1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea has a molecular weight of 346.43 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea is sourced from PubChem (CID 142000111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).