(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide

C26H34F2N2O2 — CID 54249526

IUPAC(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide
SMILESCC(C)C[C@@H](C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C26H34F2N2O2/c1-19(2)18-25(30-14-16-32-17-15-30)26(31)29-13-3-4-24(20-5-9-22(27)10-6-20)21-7-11-23(28)12-8-21/h5-12,19,24-25H,3-4,13-18H2,1-2H3,(H,29,31)/t25-/m0/s1
InChIKeyQVTRNHAERDNIDG-VWLOTQADSA-N
MW444.57 g/mol
LogP4.74
Rot. Bonds10

About (2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide

(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide (PubChem CID 54249526) has the molecular formula C26H34F2N2O2 and a molecular weight of 444.57 g/mol. Its IUPAC name is (2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide.

Molecular Properties

Compound Name(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide
PubChem CID54249526
Molecular FormulaC26H34F2N2O2
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC Name(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide
SMILESCC(C)C[C@@H](C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C26H34F2N2O2/c1-19(2)18-25(30-14-16-32-17-15-30)26(31)29-13-3-4-24(20-5-9-22(27)10-6-20)21-7-11-23(28)12-8-21/h5-12,19,24-25H,3-4,13-18H2,1-2H3,(H,29,31)/t25-/m0/s1
InChIKeyQVTRNHAERDNIDG-VWLOTQADSA-N
XLogP4.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
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 (2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide?
The IUPAC name of (2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide (CID 54249526) is (2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide.
What is the SMILES notation for (2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide?
The canonical SMILES for (2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide is CC(C)C[C@@H](C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of (2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide?
The InChIKey is QVTRNHAERDNIDG-VWLOTQADSA-N. The full InChI is InChI=1S/C26H34F2N2O2/c1-19(2)18-25(30-14-16-32-17-15-30)26(31)29-13-3-4-24(20-5-9-22(27)10-6-20)21-7-11-23(28)12-8-21/h5-12,19,24-25H,3-4,13-18H2,1-2H3,(H,29,31)/t25-/m0/s1.
What are the key properties of (2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide?
(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide has a molecular weight of 444.57 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-morpholin-4-ylpentanamide is sourced from PubChem (CID 54249526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).