4-hydroxy-N,N-diphenylbut-2-ynamide

C16H13NO2 — CID 57250810

IUPAC4-hydroxy-N,N-diphenylbut-2-ynamide
SMILESO=C(C#CCO)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13NO2/c18-13-7-12-16(19)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,18H,13H2
InChIKeyADFBUUIYNLCQOQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.35
Rot. Bonds2

About 4-hydroxy-N,N-diphenylbut-2-ynamide

4-hydroxy-N,N-diphenylbut-2-ynamide (PubChem CID 57250810) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-hydroxy-N,N-diphenylbut-2-ynamide.

Molecular Properties

Compound Name4-hydroxy-N,N-diphenylbut-2-ynamide
PubChem CID57250810
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name4-hydroxy-N,N-diphenylbut-2-ynamide
SMILESO=C(C#CCO)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13NO2/c18-13-7-12-16(19)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,18H,13H2
InChIKeyADFBUUIYNLCQOQ-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-diphenylbut-2-ynamide?
The IUPAC name of 4-hydroxy-N,N-diphenylbut-2-ynamide (CID 57250810) is 4-hydroxy-N,N-diphenylbut-2-ynamide.
What is the SMILES notation for 4-hydroxy-N,N-diphenylbut-2-ynamide?
The canonical SMILES for 4-hydroxy-N,N-diphenylbut-2-ynamide is O=C(C#CCO)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-hydroxy-N,N-diphenylbut-2-ynamide?
The InChIKey is ADFBUUIYNLCQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-13-7-12-16(19)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,18H,13H2.
What are the key properties of 4-hydroxy-N,N-diphenylbut-2-ynamide?
4-hydroxy-N,N-diphenylbut-2-ynamide has a molecular weight of 251.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-diphenylbut-2-ynamide is sourced from PubChem (CID 57250810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).