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

C25H35FN2O3 — CID 45269986

IUPAC2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c(OCCCN2CCOCC2)c1
InChIInChI=1S/C25H35FN2O3/c26-22-3-2-21(13-23(22)31-7-1-4-28-5-8-30-9-6-28)27-24(29)17-25-14-18-10-19(15-25)12-20(11-18)16-25/h2-3,13,18-20H,1,4-12,14-17H2,(H,27,29)
InChIKeyOSACQODIANQCRZ-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.47
Rot. Bonds8

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

2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide (PubChem CID 45269986) has the molecular formula C25H35FN2O3 and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
PubChem CID45269986
Molecular FormulaC25H35FN2O3
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC Name2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c(OCCCN2CCOCC2)c1
InChIInChI=1S/C25H35FN2O3/c26-22-3-2-21(13-23(22)31-7-1-4-28-5-8-30-9-6-28)27-24(29)17-25-14-18-10-19(15-25)12-20(11-18)16-25/h2-3,13,18-20H,1,4-12,14-17H2,(H,27,29)
InChIKeyOSACQODIANQCRZ-UHFFFAOYSA-N
XLogP4.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide 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 2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide (CID 45269986) is 2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c(OCCCN2CCOCC2)c1.
What is the InChIKey of 2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The InChIKey is OSACQODIANQCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN2O3/c26-22-3-2-21(13-23(22)31-7-1-4-28-5-8-30-9-6-28)27-24(29)17-25-14-18-10-19(15-25)12-20(11-18)16-25/h2-3,13,18-20H,1,4-12,14-17H2,(H,27,29).
What are the key properties of 2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
2-(1-adamantyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide has a molecular weight of 430.56 g/mol, XLogP of 4.47, 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-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]acetamide is sourced from PubChem (CID 45269986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).