1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea

C12H24N2O2 — CID 103899088

IUPAC1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea
SMILESCC(C)(CCCO)CNC(=O)NC1CCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,7-4-8-15)9-13-11(16)14-10-5-3-6-10/h10,15H,3-9H2,1-2H3,(H2,13,14,16)
InChIKeyUBKAQSYPBZTZOS-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.64
Rot. Bonds6

About 1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea

1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea (PubChem CID 103899088) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea
PubChem CID103899088
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea
SMILESCC(C)(CCCO)CNC(=O)NC1CCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,7-4-8-15)9-13-11(16)14-10-5-3-6-10/h10,15H,3-9H2,1-2H3,(H2,13,14,16)
InChIKeyUBKAQSYPBZTZOS-UHFFFAOYSA-N
XLogP1.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 103708347
1-cyclobutyl-3-(2,2-dimethylbutyl)urea
CID 103461025
1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea
CID 106141204
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 115642262
1-(2,2-dimethylheptyl)-3-(oxolan-3-yl)urea
CID 115759165
3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103463198
N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920590
5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
CID 106144752
1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 71787244
2-(cyclopropylmethylamino)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148251

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea?
The IUPAC name of 1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea (CID 103899088) is 1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea is CC(C)(CCCO)CNC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea?
The InChIKey is UBKAQSYPBZTZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,7-4-8-15)9-13-11(16)14-10-5-3-6-10/h10,15H,3-9H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea?
1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea has a molecular weight of 228.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea is sourced from PubChem (CID 103899088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).