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

C22H25F3N2O3 — CID 25014699

IUPACN-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C22H25F3N2O3/c23-22(24,25)18-4-2-17(3-5-18)16-21(28)26-19-6-8-20(9-7-19)30-13-1-10-27-11-14-29-15-12-27/h2-9H,1,10-16H2,(H,26,28)
InChIKeyOBZZDNUJCVZFFU-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.99
Rot. Bonds8

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

N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 25014699) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID25014699
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC NameN-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C22H25F3N2O3/c23-22(24,25)18-4-2-17(3-5-18)16-21(28)26-19-6-8-20(9-7-19)30-13-1-10-27-11-14-29-15-12-27/h2-9H,1,10-16H2,(H,26,28)
InChIKeyOBZZDNUJCVZFFU-UHFFFAOYSA-N
XLogP3.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.99
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 N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 25014699) is N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OBZZDNUJCVZFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c23-22(24,25)18-4-2-17(3-5-18)16-21(28)26-19-6-8-20(9-7-19)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-(trifluoromethyl)phenyl]acetamide?
N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 422.45 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25014699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).