1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea

C15H24N2O3 — CID 111412090

IUPAC1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
SMILESCC(O)CCNC(=O)Nc1ccccc1OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-11(18)9-10-16-14(19)17-12-7-5-6-8-13(12)20-15(2,3)4/h5-8,11,18H,9-10H2,1-4H3,(H2,16,17,19)
InChIKeyHERFPRHOOLWLHG-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.76
Rot. Bonds5

About 1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea

1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea (PubChem CID 111412090) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
PubChem CID111412090
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
SMILESCC(O)CCNC(=O)Nc1ccccc1OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-11(18)9-10-16-14(19)17-12-7-5-6-8-13(12)20-15(2,3)4/h5-8,11,18H,9-10H2,1-4H3,(H2,16,17,19)
InChIKeyHERFPRHOOLWLHG-UHFFFAOYSA-N
XLogP2.76
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-hydroxy-4,4-dimethylpentyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111474849
1-(3-hydroxy-4,4-dimethylpentyl)-3-(2-methoxyphenyl)urea
CID 90523642
1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
CID 111336974
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336885
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 111431252
1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
CID 111336863
1-(4-hydroxy-2,2-dimethylpentyl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 111473925
1-[2-(difluoromethoxy)phenyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473215
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111926481

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea (CID 111412090) is 1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea is CC(O)CCNC(=O)Nc1ccccc1OC(C)(C)C.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The InChIKey is HERFPRHOOLWLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(18)9-10-16-14(19)17-12-7-5-6-8-13(12)20-15(2,3)4/h5-8,11,18H,9-10H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea?
1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea is sourced from PubChem (CID 111412090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).