N-(4-ethynylphenyl)-2-phenylprop-2-enamide

C17H13NO — CID 171782277

IUPACN-(4-ethynylphenyl)-2-phenylprop-2-enamide
SMILESC#Cc1ccc(NC(=O)C(=C)c2ccccc2)cc1
InChIInChI=1S/C17H13NO/c1-3-14-9-11-16(12-10-14)18-17(19)13(2)15-7-5-4-6-8-15/h1,4-12H,2H2,(H,18,19)
InChIKeySNEMIMRGHJOOKE-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.32
Rot. Bonds3

About N-(4-ethynylphenyl)-2-phenylprop-2-enamide

N-(4-ethynylphenyl)-2-phenylprop-2-enamide (PubChem CID 171782277) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(4-ethynylphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(4-ethynylphenyl)-2-phenylprop-2-enamide
PubChem CID171782277
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC NameN-(4-ethynylphenyl)-2-phenylprop-2-enamide
SMILESC#Cc1ccc(NC(=O)C(=C)c2ccccc2)cc1
InChIInChI=1S/C17H13NO/c1-3-14-9-11-16(12-10-14)18-17(19)13(2)15-7-5-4-6-8-15/h1,4-12H,2H2,(H,18,19)
InChIKeySNEMIMRGHJOOKE-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethynylphenyl)-2-phenylprop-2-enamide?
The IUPAC name of N-(4-ethynylphenyl)-2-phenylprop-2-enamide (CID 171782277) is N-(4-ethynylphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for N-(4-ethynylphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for N-(4-ethynylphenyl)-2-phenylprop-2-enamide is C#Cc1ccc(NC(=O)C(=C)c2ccccc2)cc1.
What is the InChIKey of N-(4-ethynylphenyl)-2-phenylprop-2-enamide?
The InChIKey is SNEMIMRGHJOOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-3-14-9-11-16(12-10-14)18-17(19)13(2)15-7-5-4-6-8-15/h1,4-12H,2H2,(H,18,19).
What are the key properties of N-(4-ethynylphenyl)-2-phenylprop-2-enamide?
N-(4-ethynylphenyl)-2-phenylprop-2-enamide has a molecular weight of 247.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethynylphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 171782277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).