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

C13H26N2O2 — CID 109499928

IUPAC1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)NC(C)C1CCC1
InChIInChI=1S/C13H26N2O2/c1-4-13(17,5-2)9-14-12(16)15-10(3)11-7-6-8-11/h10-11,17H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeySAFHTJYUBCIILT-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.03
Rot. Bonds6

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

1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea (PubChem CID 109499928) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea
PubChem CID109499928
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)NC(C)C1CCC1
InChIInChI=1S/C13H26N2O2/c1-4-13(17,5-2)9-14-12(16)15-10(3)11-7-6-8-11/h10-11,17H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeySAFHTJYUBCIILT-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 115642262
3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175537
1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111507119
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433
1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea
CID 109491044
1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
CID 109499933
(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213
3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166167
1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea
CID 111507132
N-(1-cyclobutylethyl)acetamide
CID 115769098
2-(1-cyclopropylethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804143
1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111481813

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea?
The IUPAC name of 1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea (CID 109499928) is 1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea.
What is the SMILES notation for 1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea?
The canonical SMILES for 1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea is CCC(O)(CC)CNC(=O)NC(C)C1CCC1.
What is the InChIKey of 1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea?
The InChIKey is SAFHTJYUBCIILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-13(17,5-2)9-14-12(16)15-10(3)11-7-6-8-11/h10-11,17H,4-9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea?
1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea has a molecular weight of 242.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea is sourced from PubChem (CID 109499928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).