1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea

C13H26N2O2 — CID 75382012

IUPAC1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea
SMILESCC(C)(C)NC(=O)NC1(CCO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)14-11(17)15-13(9-10-16)7-5-4-6-8-13/h16H,4-10H2,1-3H3,(H2,14,15,17)
InChIKeyLUMVSENBJLKYBV-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.17
Rot. Bonds3

About 1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea

1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea (PubChem CID 75382012) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea
PubChem CID75382012
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea
SMILESCC(C)(C)NC(=O)NC1(CCO)CCCCC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)14-11(17)15-13(9-10-16)7-5-4-6-8-13/h16H,4-10H2,1-3H3,(H2,14,15,17)
InChIKeyLUMVSENBJLKYBV-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea?
The IUPAC name of 1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea (CID 75382012) is 1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea?
The canonical SMILES for 1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea is CC(C)(C)NC(=O)NC1(CCO)CCCCC1.
What is the InChIKey of 1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea?
The InChIKey is LUMVSENBJLKYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)14-11(17)15-13(9-10-16)7-5-4-6-8-13/h16H,4-10H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea?
1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea has a molecular weight of 242.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[1-(2-hydroxyethyl)cyclohexyl]urea is sourced from PubChem (CID 75382012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).