(E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide

C24H20N4O2 — CID 166636221

IUPAC(E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)NC(Cn1cncn1)C(=O)c1ccccc1
InChIInChI=1S/C24H20N4O2/c29-23(13-11-18-10-12-19-6-4-5-9-21(19)14-18)27-22(15-28-17-25-16-26-28)24(30)20-7-2-1-3-8-20/h1-14,16-17,22H,15H2,(H,27,29)/b13-11+
InChIKeyLXBBOGPPOSZAOZ-ACCUITESSA-N
MW396.45 g/mol
LogP3.51
Rot. Bonds7

About (E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide

(E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide (PubChem CID 166636221) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is (E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide
PubChem CID166636221
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name(E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)NC(Cn1cncn1)C(=O)c1ccccc1
InChIInChI=1S/C24H20N4O2/c29-23(13-11-18-10-12-19-6-4-5-9-21(19)14-18)27-22(15-28-17-25-16-26-28)24(30)20-7-2-1-3-8-20/h1-14,16-17,22H,15H2,(H,27,29)/b13-11+
InChIKeyLXBBOGPPOSZAOZ-ACCUITESSA-N
XLogP3.51
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide (CID 166636221) is (E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide is O=C(/C=C/c1ccc2ccccc2c1)NC(Cn1cncn1)C(=O)c1ccccc1.
What is the InChIKey of (E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide?
The InChIKey is LXBBOGPPOSZAOZ-ACCUITESSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-23(13-11-18-10-12-19-6-4-5-9-21(19)14-18)27-22(15-28-17-25-16-26-28)24(30)20-7-2-1-3-8-20/h1-14,16-17,22H,15H2,(H,27,29)/b13-11+.
What are the key properties of (E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide?
(E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide has a molecular weight of 396.45 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 166636221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).