1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea

C13H18N2O — CID 108914323

IUPAC1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea
SMILESCC/C(C)=C/NC(=O)N(C)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-4-11(2)10-14-13(16)15(3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,14,16)/b11-10+
InChIKeyUDKNXWKZGDTIBB-ZHACJKMWSA-N
MW218.30 g/mol
LogP3.15
Rot. Bonds3

About 1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea

1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea (PubChem CID 108914323) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea.

Molecular Properties

Compound Name1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea
PubChem CID108914323
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea
SMILESCC/C(C)=C/NC(=O)N(C)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-4-11(2)10-14-13(16)15(3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,14,16)/b11-10+
InChIKeyUDKNXWKZGDTIBB-ZHACJKMWSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea
CID 108909905
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
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
1-methyl-1-phenyl-3,3-dipropylurea
CID 20524964
2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid
CID 65218183
1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea
CID 108903288
N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide
CID 136641843
(E)-N,2-dimethyl-N-phenylbut-2-enamide
CID 10867125
3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
CID 82507336

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea?
The IUPAC name of 1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea (CID 108914323) is 1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea.
What is the SMILES notation for 1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea?
The canonical SMILES for 1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea is CC/C(C)=C/NC(=O)N(C)c1ccccc1.
What is the InChIKey of 1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea?
The InChIKey is UDKNXWKZGDTIBB-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-11(2)10-14-13(16)15(3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,14,16)/b11-10+.
What are the key properties of 1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea?
1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea has a molecular weight of 218.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea is sourced from PubChem (CID 108914323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).