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

C18H22N2O2 — CID 111119523

IUPAC1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
SMILESCc1ccccc1C(O)CNC(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13-8-6-7-11-16(13)17(21)12-19-18(22)20-14(2)15-9-4-3-5-10-15/h3-11,14,17,21H,12H2,1-2H3,(H2,19,20,22)
InChIKeyFDKFPNJHGXWRNH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.09
Rot. Bonds5

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

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea (PubChem CID 111119523) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
PubChem CID111119523
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
SMILESCc1ccccc1C(O)CNC(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13-8-6-7-11-16(13)17(21)12-19-18(22)20-14(2)15-9-4-3-5-10-15/h3-11,14,17,21H,12H2,1-2H3,(H2,19,20,22)
InChIKeyFDKFPNJHGXWRNH-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111119587
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
2-hydroxy-3-[1-(2-methylphenyl)ethylcarbamoylamino]propanoic acid
CID 66167363
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111119603
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741
1-(4-ethylsulfanylbutan-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111483088
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide
CID 71810558

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea (CID 111119523) is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea is Cc1ccccc1C(O)CNC(=O)NC(C)c1ccccc1.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea?
The InChIKey is FDKFPNJHGXWRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-8-6-7-11-16(13)17(21)12-19-18(22)20-14(2)15-9-4-3-5-10-15/h3-11,14,17,21H,12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea?
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea has a molecular weight of 298.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 111119523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).