1-benzyl-3-(2,6-dimethylphenyl)urea

C16H18N2O — CID 2823182

IUPAC1-benzyl-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O/c1-12-7-6-8-13(2)15(12)18-16(19)17-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyYIYHZJQOHDWNNS-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.63
Rot. Bonds3

About 1-benzyl-3-(2,6-dimethylphenyl)urea

1-benzyl-3-(2,6-dimethylphenyl)urea (PubChem CID 2823182) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-benzyl-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2,6-dimethylphenyl)urea
PubChem CID2823182
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-benzyl-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O/c1-12-7-6-8-13(2)15(12)18-16(19)17-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyYIYHZJQOHDWNNS-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(benzylcarbamoylamino)-3-methylbenzoic acid
CID 61182875
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-benzyl-3-(2-bromo-4,6-dimethylphenyl)urea
CID 103816632
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
3-methyl-2-(4-phenylbutylcarbamoylamino)benzoic acid
CID 70351149
1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea
CID 59778684
3-methyl-2-(5-phenylpentylcarbamoylamino)benzoic acid
CID 70351089
1-benzyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)urea
CID 107653962
1-benzyl-3-methylurea;ethane
CID 90763782
1-(3-chloropropyl)-3-(2,6-dimethylphenyl)urea
CID 13326597
2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide
CID 86987364
1-benzyl-3-(3-methoxy-2-methylphenyl)urea
CID 2823230

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-benzyl-3-(2,6-dimethylphenyl)urea (CID 2823182) is 1-benzyl-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-benzyl-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2,6-dimethylphenyl)urea?
The InChIKey is YIYHZJQOHDWNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-7-6-8-13(2)15(12)18-16(19)17-11-14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(2,6-dimethylphenyl)urea?
1-benzyl-3-(2,6-dimethylphenyl)urea has a molecular weight of 254.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 2823182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).