1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea

C13H18N2O — CID 108910047

IUPAC1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C13H18N2O/c1-9(2)8-14-13(16)15-12-10(3)6-5-7-11(12)4/h5-8H,1-4H3,(H2,14,15,16)
InChIKeySQQLUFXJMBAPCQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.35
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea

1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108910047) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea
PubChem CID108910047
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C13H18N2O/c1-9(2)8-14-13(16)15-12-10(3)6-5-7-11(12)4/h5-8H,1-4H3,(H2,14,15,16)
InChIKeySQQLUFXJMBAPCQ-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108909916
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride
CID 168664992
(Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide
CID 139239578
1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108909779
1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea
CID 108909998
1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea
CID 71409374
1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride
CID 168664869
1-[(E)-(2-chloroethylhydrazinylidene)methyl]-3-(2,6-dimethylphenyl)urea
CID 135599697
1-(2,6-dimethylphenyl)-3-[(E)-4-methylpentan-2-ylideneamino]urea
CID 11623077
2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 61190244

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea (CID 108910047) is 1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea is CC(C)=CNC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is SQQLUFXJMBAPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)8-14-13(16)15-12-10(3)6-5-7-11(12)4/h5-8H,1-4H3,(H2,14,15,16).
What are the key properties of 1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea?
1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 218.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108910047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).