1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea

C14H28N2O2 — CID 91661371

IUPAC1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea
SMILESCC(NC(=O)NC(CCO)C(C)(C)C)C1CCC1
InChIInChI=1S/C14H28N2O2/c1-10(11-6-5-7-11)15-13(18)16-12(8-9-17)14(2,3)4/h10-12,17H,5-9H2,1-4H3,(H2,15,16,18)
InChIKeyUMMBUSJRSWYOFJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.27
Rot. Bonds5

About 1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea

1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea (PubChem CID 91661371) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea.

Molecular Properties

Compound Name1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea
PubChem CID91661371
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea
SMILESCC(NC(=O)NC(CCO)C(C)(C)C)C1CCC1
InChIInChI=1S/C14H28N2O2/c1-10(11-6-5-7-11)15-13(18)16-12(8-9-17)14(2,3)4/h10-12,17H,5-9H2,1-4H3,(H2,15,16,18)
InChIKeyUMMBUSJRSWYOFJ-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea?
The IUPAC name of 1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea (CID 91661371) is 1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea.
What is the SMILES notation for 1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea?
The canonical SMILES for 1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea is CC(NC(=O)NC(CCO)C(C)(C)C)C1CCC1.
What is the InChIKey of 1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea?
The InChIKey is UMMBUSJRSWYOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(11-6-5-7-11)15-13(18)16-12(8-9-17)14(2,3)4/h10-12,17H,5-9H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea?
1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea has a molecular weight of 256.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylethyl)-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea is sourced from PubChem (CID 91661371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).