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

C13H20N2O2 — CID 94799282

IUPAC1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea
SMILESCC[C@@](C)(O)CNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-4-13(3,17)9-14-12(16)15-11-7-5-10(2)6-8-11/h5-8,17H,4,9H2,1-3H3,(H2,14,15,16)/t13-/m1/s1
InChIKeyLFXJAIFDOSRBLE-CYBMUJFWSA-N
MW236.31 g/mol
LogP2.28
Rot. Bonds4

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

1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea (PubChem CID 94799282) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea
PubChem CID94799282
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea
SMILESCC[C@@](C)(O)CNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-4-13(3,17)9-14-12(16)15-11-7-5-10(2)6-8-11/h5-8,17H,4,9H2,1-3H3,(H2,14,15,16)/t13-/m1/s1
InChIKeyLFXJAIFDOSRBLE-CYBMUJFWSA-N
XLogP2.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[(2R)-2-hydroxy-2-methylbutyl]urea
CID 94797935
1-(4-chlorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 47093325
1-[(2S)-2-hydroxy-2-methylbutyl]-3-phenylurea
CID 94797729
1-(2-hydroxy-2-methylbutyl)-3-(4-nitrophenyl)urea
CID 62651901
1-(2-hydroxy-2-methylbutyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 56823994
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
1-(3-fluorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 62734848
1-(4-chlorophenyl)-3-(2-hydroxy-2-methylpentyl)urea
CID 113234927
N-tert-butyl-2-[(4-methylphenyl)carbamoylamino]acetamide
CID 17432752
1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
CID 94798731
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56724287
1-(2,5-dihydroxy-2-methylpentyl)-3-[4-(3-methylphenyl)phenyl]urea
CID 118784892

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea (CID 94799282) is 1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea is CC[C@@](C)(O)CNC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea?
The InChIKey is LFXJAIFDOSRBLE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(3,17)9-14-12(16)15-11-7-5-10(2)6-8-11/h5-8,17H,4,9H2,1-3H3,(H2,14,15,16)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea?
1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea has a molecular weight of 236.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 94799282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).