3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea

C12H18N2O2 — CID 111431118

IUPAC3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCCc1cccc(NC(=O)N(C)CCO)c1
InChIInChI=1S/C12H18N2O2/c1-3-10-5-4-6-11(9-10)13-12(16)14(2)7-8-15/h4-6,9,15H,3,7-8H2,1-2H3,(H,13,16)
InChIKeyZMOHNPHSPAYWLW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.71
Rot. Bonds4

About 3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea

3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 111431118) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea
PubChem CID111431118
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCCc1cccc(NC(=O)N(C)CCO)c1
InChIInChI=1S/C12H18N2O2/c1-3-10-5-4-6-11(9-10)13-12(16)14(2)7-8-15/h4-6,9,15H,3,7-8H2,1-2H3,(H,13,16)
InChIKeyZMOHNPHSPAYWLW-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-(3-ethylphenyl)-1-methylurea
CID 5202320
3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431448
3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 61341691
2-[carboxymethyl-[(3-ethylphenyl)carbamoyl]amino]acetic acid
CID 63645936
3-[methyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]propanoic acid
CID 55134853
CID 89449700
CID 89449700
methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 158025110
3-[3-(aminomethyl)phenyl]-1-(2-ethoxyethyl)-1-methylurea
CID 81056992
3-[3-(chloromethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 57213701
1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868172
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423165

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea (CID 111431118) is 3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea is CCc1cccc(NC(=O)N(C)CCO)c1.
What is the InChIKey of 3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is ZMOHNPHSPAYWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-10-5-4-6-11(9-10)13-12(16)14(2)7-8-15/h4-6,9,15H,3,7-8H2,1-2H3,(H,13,16).
What are the key properties of 3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea?
3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 222.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 111431118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).