1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea

C14H20N2O2 — CID 111424149

IUPAC1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C14H20N2O2/c1-3-7-16(8-9-17)14(18)15-11-13-6-4-5-12(2)10-13/h3-6,10,17H,1,7-9,11H2,2H3,(H,15,18)
InChIKeyLERHYFZCOVGPFK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.68
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea

1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea (PubChem CID 111424149) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea
PubChem CID111424149
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C14H20N2O2/c1-3-7-16(8-9-17)14(18)15-11-13-6-4-5-12(2)10-13/h3-6,10,17H,1,7-9,11H2,2H3,(H,15,18)
InChIKeyLERHYFZCOVGPFK-UHFFFAOYSA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424077
3-[(3-cyanophenyl)methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424158
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
CID 111424142
3-[[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]methyl]benzoic acid
CID 103339776
3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
CID 108898653
3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424246
1-(2-hydroxyethyl)-3-[2-methyl-2-(4-methylphenyl)propyl]-1-prop-2-enylurea
CID 111424304
3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110911020
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
(E)-4-[(3-methylphenyl)methyl-prop-2-enylamino]-4-oxobut-2-enoic acid
CID 39360086
3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111426948
3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide
CID 92930005

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea (CID 111424149) is 1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea is C=CCN(CCO)C(=O)NCc1cccc(C)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea?
The InChIKey is LERHYFZCOVGPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-7-16(8-9-17)14(18)15-11-13-6-4-5-12(2)10-13/h3-6,10,17H,1,7-9,11H2,2H3,(H,15,18).
What are the key properties of 1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea?
1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea has a molecular weight of 248.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea is sourced from PubChem (CID 111424149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).