1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea

C13H22N2O2 — CID 108913095

IUPAC1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)NC1CCCCC1
InChIInChI=1S/C13H22N2O2/c16-13(15-12-4-2-1-3-5-12)14-10-11-6-8-17-9-7-11/h10,12H,1-9H2,(H2,14,15,16)
InChIKeyDCYULFDVCQNNQA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.31
Rot. Bonds2

About 1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea

1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913095) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913095
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)NC1CCCCC1
InChIInChI=1S/C13H22N2O2/c16-13(15-12-4-2-1-3-5-12)14-10-11-6-8-17-9-7-11/h10,12H,1-9H2,(H2,14,15,16)
InChIKeyDCYULFDVCQNNQA-UHFFFAOYSA-N
XLogP2.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea (CID 108913095) is 1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea is O=C(NC=C1CCOCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is DCYULFDVCQNNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(15-12-4-2-1-3-5-12)14-10-11-6-8-17-9-7-11/h10,12H,1-9H2,(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea?
1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 238.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).