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

C14H26N2O2 — CID 108912761

IUPAC1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea
SMILESCN(C(=O)NCC1CCOCC1)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-16(13-5-3-2-4-6-13)14(17)15-11-12-7-9-18-10-8-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyCMFOOTBHURXPHH-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.39
Rot. Bonds3

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

1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea (PubChem CID 108912761) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea
PubChem CID108912761
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea
SMILESCN(C(=O)NCC1CCOCC1)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-16(13-5-3-2-4-6-13)14(17)15-11-12-7-9-18-10-8-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyCMFOOTBHURXPHH-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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Related Compounds

4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79524949
3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902822
3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902528
2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid
CID 43611566
3-[[(2R,3S)-2-tert-butyloxan-3-yl]methyl]-1-cycloheptyl-1-methylurea
CID 99809170
2-methyl-2-[methyl(oxan-4-ylmethylcarbamoyl)amino]propanoic acid
CID 63707969
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
1-methyl-1-(oxan-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115668200
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115584066
ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
CID 43384978

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea (CID 108912761) is 1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea is CN(C(=O)NCC1CCOCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea?
The InChIKey is CMFOOTBHURXPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-16(13-5-3-2-4-6-13)14(17)15-11-12-7-9-18-10-8-12/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of 1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea?
1-cyclohexyl-1-methyl-3-(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 1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 108912761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).