(E)-N,2,3-triphenylprop-2-enamide

C21H17NO — CID 1339487

IUPAC(E)-N,2,3-triphenylprop-2-enamide
SMILESO=C(Nc1ccccc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO/c23-21(22-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-16H,(H,22,23)/b20-16+
InChIKeyLRWGRVABKCHCSI-CAPFRKAQSA-N
MW299.37 g/mol
LogP4.87
Rot. Bonds4

About (E)-N,2,3-triphenylprop-2-enamide

(E)-N,2,3-triphenylprop-2-enamide (PubChem CID 1339487) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is (E)-N,2,3-triphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,2,3-triphenylprop-2-enamide
PubChem CID1339487
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name(E)-N,2,3-triphenylprop-2-enamide
SMILESO=C(Nc1ccccc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO/c23-21(22-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-16H,(H,22,23)/b20-16+
InChIKeyLRWGRVABKCHCSI-CAPFRKAQSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,2,3-triphenylprop-2-enamide?
The IUPAC name of (E)-N,2,3-triphenylprop-2-enamide (CID 1339487) is (E)-N,2,3-triphenylprop-2-enamide.
What is the SMILES notation for (E)-N,2,3-triphenylprop-2-enamide?
The canonical SMILES for (E)-N,2,3-triphenylprop-2-enamide is O=C(Nc1ccccc1)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N,2,3-triphenylprop-2-enamide?
The InChIKey is LRWGRVABKCHCSI-CAPFRKAQSA-N. The full InChI is InChI=1S/C21H17NO/c23-21(22-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-16H,(H,22,23)/b20-16+.
What are the key properties of (E)-N,2,3-triphenylprop-2-enamide?
(E)-N,2,3-triphenylprop-2-enamide has a molecular weight of 299.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2,3-triphenylprop-2-enamide is sourced from PubChem (CID 1339487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).