1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea

C13H20N2O3 — CID 56724275

IUPAC1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea
SMILESCOCC(C)(O)CNC(=O)Nc1ccccc1C
InChIInChI=1S/C13H20N2O3/c1-10-6-4-5-7-11(10)15-12(16)14-8-13(2,17)9-18-3/h4-7,17H,8-9H2,1-3H3,(H2,14,15,16)
InChIKeyOQIOJEXBPXMXAM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.51
Rot. Bonds5

About 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea

1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea (PubChem CID 56724275) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea
PubChem CID56724275
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea
SMILESCOCC(C)(O)CNC(=O)Nc1ccccc1C
InChIInChI=1S/C13H20N2O3/c1-10-6-4-5-7-11(10)15-12(16)14-8-13(2,17)9-18-3/h4-7,17H,8-9H2,1-3H3,(H2,14,15,16)
InChIKeyOQIOJEXBPXMXAM-UHFFFAOYSA-N
XLogP1.51
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(3-methylphenyl)urea
CID 90501186
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea
CID 94813267
1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea
CID 71810787
1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea
CID 95352044
1-(2-methylphenyl)-3-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]urea
CID 95367469
1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 90501196
1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
CID 94798731
N'-(2-ethoxyphenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
CID 90501078
4-[(2-ethylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001204
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 90501203
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea
CID 111430906
2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500955

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea (CID 56724275) is 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea is COCC(C)(O)CNC(=O)Nc1ccccc1C.
What is the InChIKey of 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea?
The InChIKey is OQIOJEXBPXMXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-6-4-5-7-11(10)15-12(16)14-8-13(2,17)9-18-3/h4-7,17H,8-9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea?
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea has a molecular weight of 252.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 56724275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).