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

C17H20N2O2 — CID 6469913

IUPAC1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-4-9-16(13(2)10-12)19-17(20)18-11-14-5-7-15(21-3)8-6-14/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyXGANDFIPKBHFIR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.63
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 6469913) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID6469913
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-4-9-16(13(2)10-12)19-17(20)18-11-14-5-7-15(21-3)8-6-14/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyXGANDFIPKBHFIR-UHFFFAOYSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea (CID 6469913) is 1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is XGANDFIPKBHFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-4-9-16(13(2)10-12)19-17(20)18-11-14-5-7-15(21-3)8-6-14/h4-10H,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 284.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 6469913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).