2,2-diphenylbut-3-ynamide

C16H13NO — CID 102000055

IUPAC2,2-diphenylbut-3-ynamide
SMILESC#CC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13NO/c1-2-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12H,(H2,17,18)
InChIKeySQCFSPSMKUNVOT-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.09
Rot. Bonds3

About 2,2-diphenylbut-3-ynamide

2,2-diphenylbut-3-ynamide (PubChem CID 102000055) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 2,2-diphenylbut-3-ynamide.

Molecular Properties

Compound Name2,2-diphenylbut-3-ynamide
PubChem CID102000055
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name2,2-diphenylbut-3-ynamide
SMILESC#CC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13NO/c1-2-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12H,(H2,17,18)
InChIKeySQCFSPSMKUNVOT-UHFFFAOYSA-N
XLogP2.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-3,3,3-triphenylpropanamide
CID 174934653
2-amino-2-hydroxy-2-phenylacetamide
CID 149436781
2-ethenyl-2-phenylbut-3-enamide
CID 121008159
2-amino-2-phenylbut-3-yn-1-ol
CID 172719961
2-phenyl-2-prop-2-ynylpent-4-ynoic acid
CID 24864797
1,1-diphenylethylbenzene;prop-2-enamide
CID 174910563
3,3-diphenylpentanediamide
CID 141227643
2-(4-cyanophenyl)-2-hydroxy-2-phenylacetamide
CID 139613574
3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium
CID 134873528
2-methyl-2-phenylhex-5-yn-3-one
CID 63084664
2-(2-ethenylphenyl)-2-hydroxy-2-phenylacetamide
CID 139691139
1,1-diphenylethyl carbamate
CID 20976713

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylbut-3-ynamide?
The IUPAC name of 2,2-diphenylbut-3-ynamide (CID 102000055) is 2,2-diphenylbut-3-ynamide.
What is the SMILES notation for 2,2-diphenylbut-3-ynamide?
The canonical SMILES for 2,2-diphenylbut-3-ynamide is C#CC(C(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenylbut-3-ynamide?
The InChIKey is SQCFSPSMKUNVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-2-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12H,(H2,17,18).
What are the key properties of 2,2-diphenylbut-3-ynamide?
2,2-diphenylbut-3-ynamide has a molecular weight of 235.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylbut-3-ynamide is sourced from PubChem (CID 102000055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).