1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea

C18H35N3O3 — CID 70023343

IUPAC1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea
SMILESO=C(NCCCN1CCOCC1)N(CCO)CCC1CCCCC1
InChIInChI=1S/C18H35N3O3/c22-14-11-21(10-7-17-5-2-1-3-6-17)18(23)19-8-4-9-20-12-15-24-16-13-20/h17,22H,1-16H2,(H,19,23)
InChIKeyUNDHRRRUDKLPPD-UHFFFAOYSA-N
MW341.50 g/mol
LogP1.68
Rot. Bonds9

About 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea

1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 70023343) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea
PubChem CID70023343
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Name1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea
SMILESO=C(NCCCN1CCOCC1)N(CCO)CCC1CCCCC1
InChIInChI=1S/C18H35N3O3/c22-14-11-21(10-7-17-5-2-1-3-6-17)18(23)19-8-4-9-20-12-15-24-16-13-20/h17,22H,1-16H2,(H,19,23)
InChIKeyUNDHRRRUDKLPPD-UHFFFAOYSA-N
XLogP1.68
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea (CID 70023343) is 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea is O=C(NCCCN1CCOCC1)N(CCO)CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is UNDHRRRUDKLPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3/c22-14-11-21(10-7-17-5-2-1-3-6-17)18(23)19-8-4-9-20-12-15-24-16-13-20/h17,22H,1-16H2,(H,19,23).
What are the key properties of 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea?
1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 341.50 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 70023343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).