1,3-dicyclohexyl-1-(2-hydroxyethyl)urea

C15H28N2O2 — CID 54999035

IUPAC1,3-dicyclohexyl-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCCCC1)N(CCO)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c18-12-11-17(14-9-5-2-6-10-14)15(19)16-13-7-3-1-4-8-13/h13-14,18H,1-12H2,(H,16,19)
InChIKeyNODPULDZTJAXSG-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.66
Rot. Bonds4

About 1,3-dicyclohexyl-1-(2-hydroxyethyl)urea

1,3-dicyclohexyl-1-(2-hydroxyethyl)urea (PubChem CID 54999035) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1,3-dicyclohexyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1,3-dicyclohexyl-1-(2-hydroxyethyl)urea
PubChem CID54999035
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1,3-dicyclohexyl-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCCCC1)N(CCO)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c18-12-11-17(14-9-5-2-6-10-14)15(19)16-13-7-3-1-4-8-13/h13-14,18H,1-12H2,(H,16,19)
InChIKeyNODPULDZTJAXSG-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 1,3-dicyclohexyl-1-(2-hydroxyethyl)urea (CID 54999035) is 1,3-dicyclohexyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1,3-dicyclohexyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1,3-dicyclohexyl-1-(2-hydroxyethyl)urea is O=C(NC1CCCCC1)N(CCO)C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-1-(2-hydroxyethyl)urea?
The InChIKey is NODPULDZTJAXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c18-12-11-17(14-9-5-2-6-10-14)15(19)16-13-7-3-1-4-8-13/h13-14,18H,1-12H2,(H,16,19).
What are the key properties of 1,3-dicyclohexyl-1-(2-hydroxyethyl)urea?
1,3-dicyclohexyl-1-(2-hydroxyethyl)urea has a molecular weight of 268.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 54999035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).