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

C14H26N2O2 — CID 110752117

IUPAC3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCN(CC1CCOCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-16(11-12-7-9-18-10-8-12)14(17)15-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyZTSGOMTXHXPZQV-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.39
Rot. Bonds3

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

3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea (PubChem CID 110752117) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea
PubChem CID110752117
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCN(CC1CCOCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-16(11-12-7-9-18-10-8-12)14(17)15-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyZTSGOMTXHXPZQV-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea (CID 110752117) is 3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea is CN(CC1CCOCC1)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea?
The InChIKey is ZTSGOMTXHXPZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-16(11-12-7-9-18-10-8-12)14(17)15-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of 3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea?
3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea has a molecular weight of 254.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-1-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 110752117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).