1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea

C18H22N2O2 — CID 94822914

IUPAC1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea
SMILESCCc1cccc(C)c1NC(=O)NC[C@H](O)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-14-11-7-8-13(2)17(14)20-18(22)19-12-16(21)15-9-5-4-6-10-15/h4-11,16,21H,3,12H2,1-2H3,(H2,19,20,22)/t16-/m0/s1
InChIKeyGDZSCFJLQUDGNT-INIZCTEOSA-N
MW298.39 g/mol
LogP3.41
Rot. Bonds5

About 1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea

1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea (PubChem CID 94822914) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea
PubChem CID94822914
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea
SMILESCCc1cccc(C)c1NC(=O)NC[C@H](O)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-14-11-7-8-13(2)17(14)20-18(22)19-12-16(21)15-9-5-4-6-10-15/h4-11,16,21H,3,12H2,1-2H3,(H2,19,20,22)/t16-/m0/s1
InChIKeyGDZSCFJLQUDGNT-INIZCTEOSA-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-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-2-phenylacetamide
CID 61148140
methyl 2-[(2-ethyl-6-methylphenyl)carbamoylamino]-2-phenylacetate
CID 3800080
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572889
1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452788
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75691217
(2S)-2-[(2-ethyl-6-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 28508827
1-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3-(2-methylphenyl)urea
CID 97106061

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea (CID 94822914) is 1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea is CCc1cccc(C)c1NC(=O)NC[C@H](O)c1ccccc1.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea?
The InChIKey is GDZSCFJLQUDGNT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-14-11-7-8-13(2)17(14)20-18(22)19-12-16(21)15-9-5-4-6-10-15/h4-11,16,21H,3,12H2,1-2H3,(H2,19,20,22)/t16-/m0/s1.
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea?
1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]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-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea is sourced from PubChem (CID 94822914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).