N-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C26H33F3N2O2 — CID 155528474

IUPACN-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(CCN2CCOCC2)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H33F3N2O2/c1-2-3-4-5-21-6-10-23(11-7-21)25(32)31(15-14-30-16-18-33-19-17-30)20-22-8-12-24(13-9-22)26(27,28)29/h6-13H,2-5,14-20H2,1H3
InChIKeyVDDASVOYVWAMHO-UHFFFAOYSA-N
MW462.56 g/mol
LogP5.41
Rot. Bonds10

About N-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

N-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 155528474) has the molecular formula C26H33F3N2O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID155528474
Molecular FormulaC26H33F3N2O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC NameN-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(CCN2CCOCC2)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H33F3N2O2/c1-2-3-4-5-21-6-10-23(11-7-21)25(32)31(15-14-30-16-18-33-19-17-30)20-22-8-12-24(13-9-22)26(27,28)29/h6-13H,2-5,14-20H2,1H3
InChIKeyVDDASVOYVWAMHO-UHFFFAOYSA-N
XLogP5.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 155528474) is N-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is CCCCCc1ccc(C(=O)N(CCN2CCOCC2)Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is VDDASVOYVWAMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N2O2/c1-2-3-4-5-21-6-10-23(11-7-21)25(32)31(15-14-30-16-18-33-19-17-30)20-22-8-12-24(13-9-22)26(27,28)29/h6-13H,2-5,14-20H2,1H3.
What are the key properties of N-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 462.56 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-pentyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 155528474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).