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

C16H26N2O3 — CID 111926481

IUPAC1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
SMILESCCC(C)(CO)NC(=O)Nc1ccccc1OC(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-6-16(5,11-19)18-14(20)17-12-9-7-8-10-13(12)21-15(2,3)4/h7-10,19H,6,11H2,1-5H3,(H2,17,18,20)
InChIKeySLASSPAEOAGUML-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.15
Rot. Bonds5

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

1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea (PubChem CID 111926481) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
PubChem CID111926481
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
SMILESCCC(C)(CO)NC(=O)Nc1ccccc1OC(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-6-16(5,11-19)18-14(20)17-12-9-7-8-10-13(12)21-15(2,3)4/h7-10,19H,6,11H2,1-5H3,(H2,17,18,20)
InChIKeySLASSPAEOAGUML-UHFFFAOYSA-N
XLogP3.15
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-hydroxy-4,4-dimethylpentyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111474849
1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 111754915
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111630126
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
CID 111754129
1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111412090
1-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 71975002
1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea
CID 95972895
1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 71924647
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]urea
CID 111926599
1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 110901135
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
2-(2-chloroanilino)-2-methylbutan-1-ol
CID 61047731

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The IUPAC name of 1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea (CID 111926481) is 1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The canonical SMILES for 1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea is CCC(C)(CO)NC(=O)Nc1ccccc1OC(C)(C)C.
What is the InChIKey of 1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The InChIKey is SLASSPAEOAGUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-16(5,11-19)18-14(20)17-12-9-7-8-10-13(12)21-15(2,3)4/h7-10,19H,6,11H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea?
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea has a molecular weight of 294.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea is sourced from PubChem (CID 111926481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).