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

C17H20N2O2 — CID 6468212

IUPAC1-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-8-13(2)10-15(9-12)19-17(20)18-11-14-4-6-16(21-3)7-5-14/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyQWYBLFIRKSCDIH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.63
Rot. Bonds4

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

1-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 6468212) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID6468212
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-8-13(2)10-15(9-12)19-17(20)18-11-14-4-6-16(21-3)7-5-14/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyQWYBLFIRKSCDIH-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-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea (CID 6468212) is 1-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is QWYBLFIRKSCDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-8-13(2)10-15(9-12)19-17(20)18-11-14-4-6-16(21-3)7-5-14/h4-10H,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
1-(3,5-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-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 6468212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).