1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea

C18H22N2O2 — CID 51944765

IUPAC1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCCc1cccc(NC(=O)NC[C@H](O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-3-14-5-4-6-16(11-14)20-18(22)19-12-17(21)15-9-7-13(2)8-10-15/h4-11,17,21H,3,12H2,1-2H3,(H2,19,20,22)/t17-/m0/s1
InChIKeyORNJYPAUVQZVJE-KRWDZBQOSA-N
MW298.39 g/mol
LogP3.41
Rot. Bonds5

About 1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea

1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea (PubChem CID 51944765) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
PubChem CID51944765
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCCc1cccc(NC(=O)NC[C@H](O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-3-14-5-4-6-16(11-14)20-18(22)19-12-17(21)15-9-7-13(2)8-10-15/h4-11,17,21H,3,12H2,1-2H3,(H2,19,20,22)/t17-/m0/s1
InChIKeyORNJYPAUVQZVJE-KRWDZBQOSA-N
XLogP3.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955
1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944062
1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431114
1-[3-(ethylsulfanylmethyl)phenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111475152
1-(3-ethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61348000
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(3-ethylphenyl)urea
CID 51944769
1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 38283937
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 24528872
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
1-[2-(2,4-dimethylphenyl)ethyl]-3-(3-ethylphenyl)urea
CID 3831940
1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea (CID 51944765) is 1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea is CCc1cccc(NC(=O)NC[C@H](O)c2ccc(C)cc2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The InChIKey is ORNJYPAUVQZVJE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-14-5-4-6-16(11-14)20-18(22)19-12-17(21)15-9-7-13(2)8-10-15/h4-11,17,21H,3,12H2,1-2H3,(H2,19,20,22)/t17-/m0/s1.
What are the key properties of 1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea?
1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 51944765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).