1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea

C18H31N3O2 — CID 2864086

IUPAC1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea
SMILESO=C(NCCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31N3O2/c22-17(19-2-1-3-21-4-6-23-7-5-21)20-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1-13H2,(H2,19,20,22)
InChIKeyWGVZKAJAISJASD-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.98
Rot. Bonds5

About 1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea

1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 2864086) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea
PubChem CID2864086
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea
SMILESO=C(NCCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H31N3O2/c22-17(19-2-1-3-21-4-6-23-7-5-21)20-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1-13H2,(H2,19,20,22)
InChIKeyWGVZKAJAISJASD-UHFFFAOYSA-N
XLogP1.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)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 1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea (CID 2864086) is 1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea is O=C(NCCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is WGVZKAJAISJASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c22-17(19-2-1-3-21-4-6-23-7-5-21)20-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1-13H2,(H2,19,20,22).
What are the key properties of 1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea?
1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 321.47 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 2864086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).