2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide

C25H36N2O3 — CID 45270006

IUPAC2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C25H36N2O3/c28-24(18-25-15-19-12-20(16-25)14-21(13-19)17-25)26-22-2-4-23(5-3-22)30-9-1-6-27-7-10-29-11-8-27/h2-5,19-21H,1,6-18H2,(H,26,28)
InChIKeyBXZVMRCSXVXBPB-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.33
Rot. Bonds8

About 2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide

2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide (PubChem CID 45270006) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide
PubChem CID45270006
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C25H36N2O3/c28-24(18-25-15-19-12-20(16-25)14-21(13-19)17-25)26-22-2-4-23(5-3-22)30-9-1-6-27-7-10-29-11-8-27/h2-5,19-21H,1,6-18H2,(H,26,28)
InChIKeyBXZVMRCSXVXBPB-UHFFFAOYSA-N
XLogP4.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.33
H-Bond Donors ≤ 51
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 2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide (CID 45270006) is 2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The InChIKey is BXZVMRCSXVXBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c28-24(18-25-15-19-12-20(16-25)14-21(13-19)17-25)26-22-2-4-23(5-3-22)30-9-1-6-27-7-10-29-11-8-27/h2-5,19-21H,1,6-18H2,(H,26,28).
What are the key properties of 2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide has a molecular weight of 412.57 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide is sourced from PubChem (CID 45270006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).