3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea

C15H28N2O — CID 115642218

IUPAC3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
SMILESCC(C)CCN(C(=O)NC1CCC1)C1CCCC1
InChIInChI=1S/C15H28N2O/c1-12(2)10-11-17(14-8-3-4-9-14)15(18)16-13-6-5-7-13/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyNWWIELARKHAJGM-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.54
Rot. Bonds5

About 3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea

3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea (PubChem CID 115642218) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea.

Molecular Properties

Compound Name3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
PubChem CID115642218
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
SMILESCC(C)CCN(C(=O)NC1CCC1)C1CCCC1
InChIInChI=1S/C15H28N2O/c1-12(2)10-11-17(14-8-3-4-9-14)15(18)16-13-6-5-7-13/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyNWWIELARKHAJGM-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-cyclopropyl-1-(2-methylpropyl)urea
CID 115597168
3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
CID 102874242
3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea
CID 112832124
3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
CID 61181431
3-cyclobutyl-1-(3-hydroxybutyl)-1-methylurea
CID 115735319
1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea
CID 116656765
5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688711
1-(3-aminobutyl)-3-cyclobutyl-1-methylurea
CID 116658911
2-[cyclopentylcarbamoyl(cyclopropyl)amino]acetic acid
CID 61187386
3-cyclopentyl-1-methyl-1-pentan-2-ylurea
CID 115581562
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-cyclobutyl-1-propylurea
CID 116658576

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea?
The IUPAC name of 3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea (CID 115642218) is 3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea.
What is the SMILES notation for 3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea?
The canonical SMILES for 3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea is CC(C)CCN(C(=O)NC1CCC1)C1CCCC1.
What is the InChIKey of 3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea?
The InChIKey is NWWIELARKHAJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)10-11-17(14-8-3-4-9-14)15(18)16-13-6-5-7-13/h12-14H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea?
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea has a molecular weight of 252.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea is sourced from PubChem (CID 115642218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).