3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea

C14H28N2O — CID 167076701

IUPAC3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea
SMILESCCNC(=O)N(C)C1CC(C(CC)C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-6-13(10(3)4)11-8-12(9-11)16(5)14(17)15-7-2/h10-13H,6-9H2,1-5H3,(H,15,17)
InChIKeyNVKJBFVEXBRUJH-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.11
Rot. Bonds5

About 3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea

3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea (PubChem CID 167076701) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea
PubChem CID167076701
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea
SMILESCCNC(=O)N(C)C1CC(C(CC)C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-6-13(10(3)4)11-8-12(9-11)16(5)14(17)15-7-2/h10-13H,6-9H2,1-5H3,(H,15,17)
InChIKeyNVKJBFVEXBRUJH-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea?
The IUPAC name of 3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea (CID 167076701) is 3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea?
The canonical SMILES for 3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea is CCNC(=O)N(C)C1CC(C(CC)C(C)C)C1.
What is the InChIKey of 3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea?
The InChIKey is NVKJBFVEXBRUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-13(10(3)4)11-8-12(9-11)16(5)14(17)15-7-2/h10-13H,6-9H2,1-5H3,(H,15,17).
What are the key properties of 3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea?
3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea has a molecular weight of 240.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-[3-(2-methylpentan-3-yl)cyclobutyl]urea is sourced from PubChem (CID 167076701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).