(E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C23H25F3N2O2 — CID 20744353

IUPAC(E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C23H25F3N2O2/c1-2-21(18-4-3-5-20(16-18)28-12-14-30-15-13-28)27-22(29)11-8-17-6-9-19(10-7-17)23(24,25)26/h3-11,16,21H,2,12-15H2,1H3,(H,27,29)/b11-8+
InChIKeyQHMQMPAUUSBXNP-DHZHZOJOSA-N
MW418.46 g/mol
LogP4.82
Rot. Bonds6

About (E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 20744353) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is (E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID20744353
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name(E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C23H25F3N2O2/c1-2-21(18-4-3-5-20(16-18)28-12-14-30-15-13-28)27-22(29)11-8-17-6-9-19(10-7-17)23(24,25)26/h3-11,16,21H,2,12-15H2,1H3,(H,27,29)/b11-8+
InChIKeyQHMQMPAUUSBXNP-DHZHZOJOSA-N
XLogP4.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 20744353) is (E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is CCC(NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1cccc(N2CCOCC2)c1.
What is the InChIKey of (E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is QHMQMPAUUSBXNP-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c1-2-21(18-4-3-5-20(16-18)28-12-14-30-15-13-28)27-22(29)11-8-17-6-9-19(10-7-17)23(24,25)26/h3-11,16,21H,2,12-15H2,1H3,(H,27,29)/b11-8+.
What are the key properties of (E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 418.46 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 20744353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).