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

C13H18N2O — CID 108909998

IUPAC1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea
SMILESCCc1ccccc1NC(=O)NC=C(C)C
InChIInChI=1S/C13H18N2O/c1-4-11-7-5-6-8-12(11)15-13(16)14-9-10(2)3/h5-9H,4H2,1-3H3,(H2,14,15,16)
InChIKeySSOABZRJJCWDSG-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.29
Rot. Bonds3

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

1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108909998) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea
PubChem CID108909998
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea
SMILESCCc1ccccc1NC(=O)NC=C(C)C
InChIInChI=1S/C13H18N2O/c1-4-11-7-5-6-8-12(11)15-13(16)14-9-10(2)3/h5-9H,4H2,1-3H3,(H2,14,15,16)
InChIKeySSOABZRJJCWDSG-UHFFFAOYSA-N
XLogP3.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108909779
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea
CID 108911860
1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914322
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
1-(2-ethylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907781

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea (CID 108909998) is 1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea is CCc1ccccc1NC(=O)NC=C(C)C.
What is the InChIKey of 1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is SSOABZRJJCWDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-11-7-5-6-8-12(11)15-13(16)14-9-10(2)3/h5-9H,4H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea?
1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 218.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).