3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea

C15H28N2O2 — CID 71686938

IUPAC3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
SMILESCN(CC1(C)CCOCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-15(8-10-19-11-9-15)12-17(2)14(18)16-13-6-4-3-5-7-13/h13H,3-12H2,1-2H3,(H,16,18)
InChIKeyQGMYTCBSIAZFQT-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.78
Rot. Bonds3

About 3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea

3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea (PubChem CID 71686938) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
PubChem CID71686938
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
SMILESCN(CC1(C)CCOCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-15(8-10-19-11-9-15)12-17(2)14(18)16-13-6-4-3-5-7-13/h13H,3-12H2,1-2H3,(H,16,18)
InChIKeyQGMYTCBSIAZFQT-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-(2-methylpropyl)-1-[(oxan-4-YL)methyl]urea
CID 91914980
N'-cyclopentyl-N-methyl-N-[(oxan-4-yl)methyl]urea
CID 110752124
3-Cyclohexyl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea
CID 71686959
1-Methyl-3-(3-methylbutyl)-1-[(oxan-4-YL)methyl]urea
CID 91914982
N-cyclohexyl-3-methoxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 110197984
N'-isopropyl-N-methyl-N-tetrahydro-2H-pyran-4-ylmethylurea
CID 110752122
N-cyclopentyl-N'-[(4-methyloxan-4-yl)methyl]urea
CID 110875702
N'-tert-butyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]urea
CID 110875728
3-Cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
CID 110875729
1-(4,4-Difluorocyclohexyl)-3-(6-oxaspiro[2.5]octan-2-yl)urea
CID 128627537
1-[(1R,2R)-2-fluorocyclohexyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
CID 128781663
1-[[4-(Dimethylamino)oxan-4-yl]methyl]-3-(5,5-dimethylhexan-2-yl)urea
CID 71875042

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea (CID 71686938) is 3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea is CN(CC1(C)CCOCC1)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea?
The InChIKey is QGMYTCBSIAZFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(8-10-19-11-9-15)12-17(2)14(18)16-13-6-4-3-5-7-13/h13H,3-12H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea?
3-cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea has a molecular weight of 268.40 g/mol, XLogP of 2.78, 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-[(4-methyloxan-4-yl)methyl]urea is sourced from PubChem (CID 71686938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).