1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea

C17H20N2O2 — CID 52768914

IUPAC1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCc1ccc(C)c(NC(=O)NCc2ccccc2CO)c1
InChIInChI=1S/C17H20N2O2/c1-12-7-8-13(2)16(9-12)19-17(21)18-10-14-5-3-4-6-15(14)11-20/h3-9,20H,10-11H2,1-2H3,(H2,18,19,21)
InChIKeyDMWPJFKTLHSSHX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.12
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea

1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 52768914) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
PubChem CID52768914
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCc1ccc(C)c(NC(=O)NCc2ccccc2CO)c1
InChIInChI=1S/C17H20N2O2/c1-12-7-8-13(2)16(9-12)19-17(21)18-10-14-5-3-4-6-15(14)11-20/h3-9,20H,10-11H2,1-2H3,(H2,18,19,21)
InChIKeyDMWPJFKTLHSSHX-UHFFFAOYSA-N
XLogP3.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 23762285
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426
1-N'-(2,5-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974964
1-(2,5-dimethylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951469
1-[(2-bromophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 108897860
1-(2,5-dimethylphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3687808
1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea
CID 110675983
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 3263261
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24604643

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea (CID 52768914) is 1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea is Cc1ccc(C)c(NC(=O)NCc2ccccc2CO)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is DMWPJFKTLHSSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-7-8-13(2)16(9-12)19-17(21)18-10-14-5-3-4-6-15(14)11-20/h3-9,20H,10-11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 284.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 52768914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).