1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea

C13H25N3O2 — CID 1086741

IUPAC1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C13H25N3O2/c17-13(15-12-4-2-1-3-5-12)14-6-7-16-8-10-18-11-9-16/h12H,1-11H2,(H2,14,15,17)
InChIKeyIQNYLAQQGOFKEF-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.95
Rot. Bonds4

About 1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea

1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea (PubChem CID 1086741) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea
PubChem CID1086741
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C13H25N3O2/c17-13(15-12-4-2-1-3-5-12)14-6-7-16-8-10-18-11-9-16/h12H,1-11H2,(H2,14,15,17)
InChIKeyIQNYLAQQGOFKEF-UHFFFAOYSA-N
XLogP0.95
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea (CID 1086741) is 1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea is O=C(NCCN1CCOCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is IQNYLAQQGOFKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c17-13(15-12-4-2-1-3-5-12)14-6-7-16-8-10-18-11-9-16/h12H,1-11H2,(H2,14,15,17).
What are the key properties of 1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea?
1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 255.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 1086741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).