1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea

C11H22N2O2 — CID 115642262

IUPAC1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)NC1CCC1
InChIInChI=1S/C11H22N2O2/c1-3-11(15,4-2)8-12-10(14)13-9-6-5-7-9/h9,15H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyFITXPVVIJDNZRT-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.39
Rot. Bonds5

About 1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea

1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea (PubChem CID 115642262) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
PubChem CID115642262
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)NC1CCC1
InChIInChI=1S/C11H22N2O2/c1-3-11(15,4-2)8-12-10(14)13-9-6-5-7-9/h9,15H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeyFITXPVVIJDNZRT-UHFFFAOYSA-N
XLogP1.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(2,2-dimethylbutyl)urea
CID 103461025
1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea
CID 111508133
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 109499928
1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111438962
2-(cyclopentylamino)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65106565
1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
CID 103842814
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
1-(2-ethyl-2-hydroxybutyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 136579762
1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea
CID 111422903
1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
CID 110910101
3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103463198

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea?
The IUPAC name of 1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea (CID 115642262) is 1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea is CCC(O)(CC)CNC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea?
The InChIKey is FITXPVVIJDNZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-11(15,4-2)8-12-10(14)13-9-6-5-7-9/h9,15H,3-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea?
1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea has a molecular weight of 214.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea is sourced from PubChem (CID 115642262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).