N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide

C17H15NO2 — CID 67762654

IUPACN-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(CC#Cc2ccccc2)c1
InChIInChI=1S/C17H15NO2/c1-13(19)18-16-10-11-17(20)15(12-16)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,20H,9H2,1H3,(H,18,19)
InChIKeyQAEWIIRBZUJEEV-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.94
Rot. Bonds2

About N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide

N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide (PubChem CID 67762654) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide
PubChem CID67762654
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC NameN-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(CC#Cc2ccccc2)c1
InChIInChI=1S/C17H15NO2/c1-13(19)18-16-10-11-17(20)15(12-16)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,20H,9H2,1H3,(H,18,19)
InChIKeyQAEWIIRBZUJEEV-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide?
The IUPAC name of N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide (CID 67762654) is N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide.
What is the SMILES notation for N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide?
The canonical SMILES for N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide is CC(=O)Nc1ccc(O)c(CC#Cc2ccccc2)c1.
What is the InChIKey of N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide?
The InChIKey is QAEWIIRBZUJEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-13(19)18-16-10-11-17(20)15(12-16)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,20H,9H2,1H3,(H,18,19).
What are the key properties of N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide?
N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide has a molecular weight of 265.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(3-phenylprop-2-ynyl)phenyl]acetamide is sourced from PubChem (CID 67762654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).