1-cyclohexyl-3-cyclooctylurea

C15H28N2O — CID 840783

IUPAC1-cyclohexyl-3-cyclooctylurea
SMILESO=C(NC1CCCCCCC1)NC1CCCCC1
InChIInChI=1S/C15H28N2O/c18-15(17-14-11-7-4-8-12-14)16-13-9-5-2-1-3-6-10-13/h13-14H,1-12H2,(H2,16,17,18)
InChIKeyLITYOAMZVKPAFJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.73
Rot. Bonds2

About 1-cyclohexyl-3-cyclooctylurea

1-cyclohexyl-3-cyclooctylurea (PubChem CID 840783) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-cyclooctylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-cyclooctylurea
PubChem CID840783
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-cyclohexyl-3-cyclooctylurea
SMILESO=C(NC1CCCCCCC1)NC1CCCCC1
InChIInChI=1S/C15H28N2O/c18-15(17-14-11-7-4-8-12-14)16-13-9-5-2-1-3-6-10-13/h13-14H,1-12H2,(H2,16,17,18)
InChIKeyLITYOAMZVKPAFJ-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-cyclooctylurea?
The IUPAC name of 1-cyclohexyl-3-cyclooctylurea (CID 840783) is 1-cyclohexyl-3-cyclooctylurea.
What is the SMILES notation for 1-cyclohexyl-3-cyclooctylurea?
The canonical SMILES for 1-cyclohexyl-3-cyclooctylurea is O=C(NC1CCCCCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-cyclooctylurea?
The InChIKey is LITYOAMZVKPAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c18-15(17-14-11-7-4-8-12-14)16-13-9-5-2-1-3-6-10-13/h13-14H,1-12H2,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-cyclooctylurea?
1-cyclohexyl-3-cyclooctylurea has a molecular weight of 252.40 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-cyclooctylurea is sourced from PubChem (CID 840783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).