3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea

C14H24N2O2 — CID 79120718

IUPAC3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea
SMILESCN(C(=O)NC1CCCCC1)C1CCC(=O)CC1
InChIInChI=1S/C14H24N2O2/c1-16(12-7-9-13(17)10-8-12)14(18)15-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyBQENQWGIRFXFPQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.47
Rot. Bonds2

About 3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea

3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea (PubChem CID 79120718) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea
PubChem CID79120718
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea
SMILESCN(C(=O)NC1CCCCC1)C1CCC(=O)CC1
InChIInChI=1S/C14H24N2O2/c1-16(12-7-9-13(17)10-8-12)14(18)15-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyBQENQWGIRFXFPQ-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
CID 79121066
1-(4-cyanocyclohexyl)-3-cyclohexyl-1-methylurea
CID 115270228
1-(azepan-4-yl)-3-cyclohexyl-1-methylurea
CID 107172653
4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea
CID 60805183
3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea
CID 47240964
3-cyclohexyl-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47108060
methyl-(4-oxocyclohexyl)carbamic acid
CID 22236346
N-(6-oxocyclododecyl)acetamide
CID 117071051
1-cycloheptyl-3-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47237189
3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea
CID 107653604

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea (CID 79120718) is 3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea is CN(C(=O)NC1CCCCC1)C1CCC(=O)CC1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea?
The InChIKey is BQENQWGIRFXFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(12-7-9-13(17)10-8-12)14(18)15-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of 3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea?
3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea has a molecular weight of 252.36 g/mol, XLogP of 2.47, 2 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-oxocyclohexyl)urea is sourced from PubChem (CID 79120718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).