1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea

C12H16N2O — CID 108909905

IUPAC1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea
SMILESCC(C)=CNC(=O)N(C)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-10(2)9-13-12(15)14(3)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,13,15)
InChIKeyXGCZGFIBKCBARG-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.76
Rot. Bonds2

About 1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea

1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea (PubChem CID 108909905) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea.

Molecular Properties

Compound Name1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea
PubChem CID108909905
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea
SMILESCC(C)=CNC(=O)N(C)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-10(2)9-13-12(15)14(3)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,13,15)
InChIKeyXGCZGFIBKCBARG-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea
CID 108914323
3-ethenyl-1-methyl-1-phenylurea
CID 108909168
formic acid;methyl(phenyl)carbamic acid
CID 161284118
3-[(E)-2-(3-bromophenyl)ethenyl]-1-methyl-1-phenylurea
CID 108906945
1-methyl-3-nitroso-1-phenylurea
CID 21116436
1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea
CID 108903288
(E)-N,2-dimethyl-N-phenylbut-2-enamide
CID 10867125
2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 61187226
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
CID 82507336
1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea
CID 108991139

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea?
The IUPAC name of 1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea (CID 108909905) is 1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea.
What is the SMILES notation for 1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea?
The canonical SMILES for 1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea is CC(C)=CNC(=O)N(C)c1ccccc1.
What is the InChIKey of 1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea?
The InChIKey is XGCZGFIBKCBARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(2)9-13-12(15)14(3)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,13,15).
What are the key properties of 1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea?
1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea has a molecular weight of 204.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea is sourced from PubChem (CID 108909905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).