1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea

C12H16N2O — CID 114619451

IUPAC1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H16N2O/c1-9(2)8-13-12(15)14-11-6-4-5-10(3)7-11/h4-7H,1,8H2,2-3H3,(H2,13,14,15)
InChIKeyHGSFVVDHODYPML-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.69
Rot. Bonds3

About 1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea

1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea (PubChem CID 114619451) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
PubChem CID114619451
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H16N2O/c1-9(2)8-13-12(15)14-11-6-4-5-10(3)7-11/h4-7H,1,8H2,2-3H3,(H2,13,14,15)
InChIKeyHGSFVVDHODYPML-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
CID 36517218
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
N-(3-methylphenyl)acetamide
CID 10843
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 86983414
1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea
CID 86817334
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916197
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(2,2-dimethoxyethyl)-3-(3-methylphenyl)urea
CID 4524183

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea (CID 114619451) is 1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea is C=C(C)CNC(=O)Nc1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea?
The InChIKey is HGSFVVDHODYPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(2)8-13-12(15)14-11-6-4-5-10(3)7-11/h4-7H,1,8H2,2-3H3,(H2,13,14,15).
What are the key properties of 1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea?
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea has a molecular weight of 204.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 114619451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).