(E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide

C16H15NO2 — CID 795596

IUPAC(E)-N-(3-methoxyphenyl)-3-phenylprop-2-enamide
SMILESCOC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2
InChIInChI=1S/C16H15NO2/c1-19-15-9-5-8-14(12-15)17-16(18)11-10-13-6-3-2-4-7-13/h2-12H,1H3,(H,17,18)/b11-10+
InChIKeyGVTLFGJNTIRUEG-ZHACJKMWSA-N
MW253.29 g/mol
LogP3.60
Rot. Bonds4

About (E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide

(E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide (PubChem CID 795596) has the molecular formula C16H15NO2 and a molecular weight of 253.29 g/mol. Its IUPAC name is (E)-N-(3-methoxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide
PubChem CID795596
Molecular FormulaC16H15NO2
Molecular Weight253.29 g/mol
Exact Mass253.11
IUPAC Name(E)-N-(3-methoxyphenyl)-3-phenylprop-2-enamide
SMILESCOC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2
InChIInChI=1S/C16H15NO2/c1-19-15-9-5-8-14(12-15)17-16(18)11-10-13-6-3-2-4-7-13/h2-12H,1H3,(H,17,18)/b11-10+
InChIKeyGVTLFGJNTIRUEG-ZHACJKMWSA-N
XLogP3.60
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity308

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-Methoxyphenyl)-3-phenyl-2-propenamide?
The IUPAC name of (E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide (CID 795596) is (E)-N-(3-methoxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide?
The canonical SMILES for (E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide is COC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2.
What is the InChIKey of (E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide?
The InChIKey is GVTLFGJNTIRUEG-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-15-9-5-8-14(12-15)17-16(18)11-10-13-6-3-2-4-7-13/h2-12H,1H3,(H,17,18)/b11-10+.
What are the key properties of (E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide?
(E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide has a molecular weight of 253.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide is sourced from PubChem (CID 795596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).