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

C14H20N2O2 — CID 111119604

IUPAC1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea
SMILESCc1ccccc1C(O)CNC(=O)NC1CC1C
InChIInChI=1S/C14H20N2O2/c1-9-5-3-4-6-11(9)13(17)8-15-14(18)16-12-7-10(12)2/h3-6,10,12-13,17H,7-8H2,1-2H3,(H2,15,16,18)
InChIKeyXFNRGNZFASHZLK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.74
Rot. Bonds4

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

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea (PubChem CID 111119604) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea
PubChem CID111119604
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea
SMILESCc1ccccc1C(O)CNC(=O)NC1CC1C
InChIInChI=1S/C14H20N2O2/c1-9-5-3-4-6-11(9)13(17)8-15-14(18)16-12-7-10(12)2/h3-6,10,12-13,17H,7-8H2,1-2H3,(H2,15,16,18)
InChIKeyXFNRGNZFASHZLK-UHFFFAOYSA-N
XLogP1.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111482945
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea
CID 75371042
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 111121232
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea
CID 111108610
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide
CID 97072671
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523
N-[2-hydroxy-2-(2-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 111119691
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 97239385

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea (CID 111119604) is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea is Cc1ccccc1C(O)CNC(=O)NC1CC1C.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea?
The InChIKey is XFNRGNZFASHZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-3-4-6-11(9)13(17)8-15-14(18)16-12-7-10(12)2/h3-6,10,12-13,17H,7-8H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea?
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylcyclopropyl)urea has a molecular weight of 248.33 g/mol, XLogP of 1.74, 4 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-(2-methylcyclopropyl)urea is sourced from PubChem (CID 111119604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).