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

C22H25F3N2O4 — CID 45272559

IUPACN-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C22H25F3N2O4/c23-22(24,25)31-20-6-2-17(3-7-20)16-21(28)26-18-4-8-19(9-5-18)30-13-1-10-27-11-14-29-15-12-27/h2-9H,1,10-16H2,(H,26,28)
InChIKeyRBNFUUJQUFQTFR-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.87
Rot. Bonds9

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

N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 45272559) has the molecular formula C22H25F3N2O4 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID45272559
Molecular FormulaC22H25F3N2O4
Molecular Weight438.45 g/mol
Exact Mass438.18
IUPAC NameN-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C22H25F3N2O4/c23-22(24,25)31-20-6-2-17(3-7-20)16-21(28)26-18-4-8-19(9-5-18)30-13-1-10-27-11-14-29-15-12-27/h2-9H,1,10-16H2,(H,26,28)
InChIKeyRBNFUUJQUFQTFR-UHFFFAOYSA-N
XLogP3.87
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)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 N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 45272559) is N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is RBNFUUJQUFQTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O4/c23-22(24,25)31-20-6-2-17(3-7-20)16-21(28)26-18-4-8-19(9-5-18)30-13-1-10-27-11-14-29-15-12-27/h2-9H,1,10-16H2,(H,26,28).
What are the key properties of N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 438.45 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 45272559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).