1-tert-butyl-3-(4-oxocyclohexyl)urea

C11H20N2O2 — CID 43652951

IUPAC1-tert-butyl-3-(4-oxocyclohexyl)urea
SMILESCC(C)(C)NC(=O)NC1CCC(=O)CC1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)13-10(15)12-8-4-6-9(14)7-5-8/h8H,4-7H2,1-3H3,(H2,12,13,15)
InChIKeyOYCQHWUVBSZETC-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.60
Rot. Bonds1

About 1-tert-butyl-3-(4-oxocyclohexyl)urea

1-tert-butyl-3-(4-oxocyclohexyl)urea (PubChem CID 43652951) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-oxocyclohexyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(4-oxocyclohexyl)urea
PubChem CID43652951
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-tert-butyl-3-(4-oxocyclohexyl)urea
SMILESCC(C)(C)NC(=O)NC1CCC(=O)CC1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)13-10(15)12-8-4-6-9(14)7-5-8/h8H,4-7H2,1-3H3,(H2,12,13,15)
InChIKeyOYCQHWUVBSZETC-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-cyclobutylurea
CID 17217146
1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 115693464
1-cyclobutyl-3-(4-oxocyclohexyl)urea
CID 116658369
2,2-difluoro-N-(4-oxocyclohexyl)propanamide
CID 131072178
2-methoxy-2-methyl-N-(4-oxocyclohexyl)propanamide
CID 103020635
1-(azetidin-3-yl)-3-tert-butylurea
CID 66186075
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
1-tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
2-(tert-butylcarbamoylamino)-N-cyclopropylpropanamide
CID 115585441
1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
CID 116656521
2-cyclopropyl-N-(4-oxocyclohexyl)propanamide
CID 83153733
1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea
CID 110819716

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-oxocyclohexyl)urea?
The IUPAC name of 1-tert-butyl-3-(4-oxocyclohexyl)urea (CID 43652951) is 1-tert-butyl-3-(4-oxocyclohexyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(4-oxocyclohexyl)urea?
The canonical SMILES for 1-tert-butyl-3-(4-oxocyclohexyl)urea is CC(C)(C)NC(=O)NC1CCC(=O)CC1.
What is the InChIKey of 1-tert-butyl-3-(4-oxocyclohexyl)urea?
The InChIKey is OYCQHWUVBSZETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)13-10(15)12-8-4-6-9(14)7-5-8/h8H,4-7H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-tert-butyl-3-(4-oxocyclohexyl)urea?
1-tert-butyl-3-(4-oxocyclohexyl)urea has a molecular weight of 212.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-oxocyclohexyl)urea is sourced from PubChem (CID 43652951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).