1-(4-tert-butylcyclohexyl)-3-cyclohexylurea

C17H32N2O — CID 11000464

IUPAC1-(4-tert-butylcyclohexyl)-3-cyclohexylurea
SMILESCC(C)(C)C1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H32N2O/c1-17(2,3)13-9-11-15(12-10-13)19-16(20)18-14-7-5-4-6-8-14/h13-15H,4-12H2,1-3H3,(H2,18,19,20)
InChIKeyRIZALLPDVPHZFH-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.22
Rot. Bonds2

About 1-(4-tert-butylcyclohexyl)-3-cyclohexylurea

1-(4-tert-butylcyclohexyl)-3-cyclohexylurea (PubChem CID 11000464) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-3-cyclohexylurea
PubChem CID11000464
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(4-tert-butylcyclohexyl)-3-cyclohexylurea
SMILESCC(C)(C)C1CCC(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H32N2O/c1-17(2,3)13-9-11-15(12-10-13)19-16(20)18-14-7-5-4-6-8-14/h13-15H,4-12H2,1-3H3,(H2,18,19,20)
InChIKeyRIZALLPDVPHZFH-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-3-cyclohexylurea?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-3-cyclohexylurea (CID 11000464) is 1-(4-tert-butylcyclohexyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-3-cyclohexylurea?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-3-cyclohexylurea is CC(C)(C)C1CCC(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-3-cyclohexylurea?
The InChIKey is RIZALLPDVPHZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-17(2,3)13-9-11-15(12-10-13)19-16(20)18-14-7-5-4-6-8-14/h13-15H,4-12H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(4-tert-butylcyclohexyl)-3-cyclohexylurea?
1-(4-tert-butylcyclohexyl)-3-cyclohexylurea has a molecular weight of 280.46 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-3-cyclohexylurea is sourced from PubChem (CID 11000464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).