3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea

C13H20N2O2 — CID 14025266

IUPAC3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea
SMILESCCCCNC(=O)N(C)c1ccc(C)cc1O
InChIInChI=1S/C13H20N2O2/c1-4-5-8-14-13(17)15(3)11-7-6-10(2)9-12(11)16/h6-7,9,16H,4-5,8H2,1-3H3,(H,14,17)
InChIKeyPYLKRUDEKFRULX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.65
Rot. Bonds4

About 3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea

3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea (PubChem CID 14025266) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea.

Molecular Properties

Compound Name3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea
PubChem CID14025266
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea
SMILESCCCCNC(=O)N(C)c1ccc(C)cc1O
InChIInChI=1S/C13H20N2O2/c1-4-5-8-14-13(17)15(3)11-7-6-10(2)9-12(11)16/h6-7,9,16H,4-5,8H2,1-3H3,(H,14,17)
InChIKeyPYLKRUDEKFRULX-UHFFFAOYSA-N
XLogP2.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butyl-1-(2-hydroxyphenyl)-1-methylurea
CID 14025265
3-butyl-1-methyl-1-(2-methylphenyl)urea
CID 116655391
1-(2-amino-4-bromophenyl)-3-butyl-1-methylurea
CID 114088438
3-butyl-1-(butylcarbamoyl)-1-methylurea
CID 173294648
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
3-butyl-1-(4-fluorophenyl)-1-methylurea
CID 115588404
[3-[butylcarbamoyl(methyl)amino]phenyl]boronic acid
CID 11673237
N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53282051
1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea
CID 43318692
2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid
CID 175473181
[2-(hexylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581763
3-butyl-1-methoxy-1-(4-methylphenyl)sulfonylurea
CID 18368785

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea?
The IUPAC name of 3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea (CID 14025266) is 3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea.
What is the SMILES notation for 3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea?
The canonical SMILES for 3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea is CCCCNC(=O)N(C)c1ccc(C)cc1O.
What is the InChIKey of 3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea?
The InChIKey is PYLKRUDEKFRULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-5-8-14-13(17)15(3)11-7-6-10(2)9-12(11)16/h6-7,9,16H,4-5,8H2,1-3H3,(H,14,17).
What are the key properties of 3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea?
3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea has a molecular weight of 236.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea is sourced from PubChem (CID 14025266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).