3-butyl-1-(2-hydroxyphenyl)-1-methylurea

C12H18N2O2 — CID 14025265

IUPAC3-butyl-1-(2-hydroxyphenyl)-1-methylurea
SMILESCCCCNC(=O)N(C)c1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-3-4-9-13-12(16)14(2)10-7-5-6-8-11(10)15/h5-8,15H,3-4,9H2,1-2H3,(H,13,16)
InChIKeyLDFBZTXYLQRLPI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.34
Rot. Bonds4

About 3-butyl-1-(2-hydroxyphenyl)-1-methylurea

3-butyl-1-(2-hydroxyphenyl)-1-methylurea (PubChem CID 14025265) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-butyl-1-(2-hydroxyphenyl)-1-methylurea.

Molecular Properties

Compound Name3-butyl-1-(2-hydroxyphenyl)-1-methylurea
PubChem CID14025265
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-butyl-1-(2-hydroxyphenyl)-1-methylurea
SMILESCCCCNC(=O)N(C)c1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-3-4-9-13-12(16)14(2)10-7-5-6-8-11(10)15/h5-8,15H,3-4,9H2,1-2H3,(H,13,16)
InChIKeyLDFBZTXYLQRLPI-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.34
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-methyl-1-(2-methylphenyl)urea
CID 116655391
3-butyl-1-(2-hydroxy-4-methylphenyl)-1-methylurea
CID 14025266
3-butyl-1-(4-fluorophenyl)-1-methylurea
CID 115588404
2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid
CID 82940320
1-(2-amino-4-bromophenyl)-3-butyl-1-methylurea
CID 114088438
3-butyl-1-methyl-1-(1-phenylethyl)urea
CID 102439407
3-butyl-1-(butylcarbamoyl)-1-methylurea
CID 173294648
[3-[butylcarbamoyl(methyl)amino]phenyl]boronic acid
CID 11673237
1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea
CID 43318701
1-butyl-3-[(2-hydroxyphenyl)methyl]urea
CID 115598931
2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid
CID 62636872
1-(2-methylphenyl)-1,3-dioctadecylurea
CID 141260118

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(2-hydroxyphenyl)-1-methylurea?
The IUPAC name of 3-butyl-1-(2-hydroxyphenyl)-1-methylurea (CID 14025265) is 3-butyl-1-(2-hydroxyphenyl)-1-methylurea.
What is the SMILES notation for 3-butyl-1-(2-hydroxyphenyl)-1-methylurea?
The canonical SMILES for 3-butyl-1-(2-hydroxyphenyl)-1-methylurea is CCCCNC(=O)N(C)c1ccccc1O.
What is the InChIKey of 3-butyl-1-(2-hydroxyphenyl)-1-methylurea?
The InChIKey is LDFBZTXYLQRLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-9-13-12(16)14(2)10-7-5-6-8-11(10)15/h5-8,15H,3-4,9H2,1-2H3,(H,13,16).
What are the key properties of 3-butyl-1-(2-hydroxyphenyl)-1-methylurea?
3-butyl-1-(2-hydroxyphenyl)-1-methylurea has a molecular weight of 222.29 g/mol, XLogP of 2.34, 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-hydroxyphenyl)-1-methylurea is sourced from PubChem (CID 14025265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).