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

C14H24N2O2 — CID 108913092

IUPAC1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea
SMILESCN(C(=O)NC=C1CCOCC1)C1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-16(13-5-3-2-4-6-13)14(17)15-11-12-7-9-18-10-8-12/h11,13H,2-10H2,1H3,(H,15,17)
InChIKeyFIUOYUODCJSWGF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.65
Rot. Bonds2

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

1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913092) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913092
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea
SMILESCN(C(=O)NC=C1CCOCC1)C1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-16(13-5-3-2-4-6-13)14(17)15-11-12-7-9-18-10-8-12/h11,13H,2-10H2,1H3,(H,15,17)
InChIKeyFIUOYUODCJSWGF-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea (CID 108913092) is 1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea is CN(C(=O)NC=C1CCOCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is FIUOYUODCJSWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(13-5-3-2-4-6-13)14(17)15-11-12-7-9-18-10-8-12/h11,13H,2-10H2,1H3,(H,15,17).
What are the key properties of 1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea?
1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 252.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).