3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea

C18H36N4O3 — CID 87236961

IUPAC3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea
SMILESNCCCCCNC(=O)N(OCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C18H36N4O3/c19-9-5-2-6-10-20-18(23)22(17-7-3-1-4-8-17)25-16-13-21-11-14-24-15-12-21/h17H,1-16,19H2,(H,20,23)
InChIKeyNZLSEMGYIZRRAW-UHFFFAOYSA-N
MW356.51 g/mol
LogP1.72
Rot. Bonds10

About 3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea

3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea (PubChem CID 87236961) has the molecular formula C18H36N4O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea.

Molecular Properties

Compound Name3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea
PubChem CID87236961
Molecular FormulaC18H36N4O3
Molecular Weight356.51 g/mol
Exact Mass356.28
IUPAC Name3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea
SMILESNCCCCCNC(=O)N(OCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C18H36N4O3/c19-9-5-2-6-10-20-18(23)22(17-7-3-1-4-8-17)25-16-13-21-11-14-24-15-12-21/h17H,1-16,19H2,(H,20,23)
InChIKeyNZLSEMGYIZRRAW-UHFFFAOYSA-N
XLogP1.72
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea?
The IUPAC name of 3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea (CID 87236961) is 3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea.
What is the SMILES notation for 3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea?
The canonical SMILES for 3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea is NCCCCCNC(=O)N(OCCN1CCOCC1)C1CCCCC1.
What is the InChIKey of 3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea?
The InChIKey is NZLSEMGYIZRRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O3/c19-9-5-2-6-10-20-18(23)22(17-7-3-1-4-8-17)25-16-13-21-11-14-24-15-12-21/h17H,1-16,19H2,(H,20,23).
What are the key properties of 3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea?
3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea has a molecular weight of 356.51 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminopentyl)-1-cyclohexyl-1-(2-morpholin-4-ylethoxy)urea is sourced from PubChem (CID 87236961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).