N-phenyl-N-(2-phenylacetyl)prop-2-ynamide

C17H13NO2 — CID 118863760

IUPACN-phenyl-N-(2-phenylacetyl)prop-2-ynamide
SMILESC#CC(=O)N(C(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H13NO2/c1-2-16(19)18(15-11-7-4-8-12-15)17(20)13-14-9-5-3-6-10-14/h1,3-12H,13H2
InChIKeyLYOLPNRTQZOORV-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.42
Rot. Bonds3

About N-phenyl-N-(2-phenylacetyl)prop-2-ynamide

N-phenyl-N-(2-phenylacetyl)prop-2-ynamide (PubChem CID 118863760) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-phenyl-N-(2-phenylacetyl)prop-2-ynamide.

Molecular Properties

Compound NameN-phenyl-N-(2-phenylacetyl)prop-2-ynamide
PubChem CID118863760
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC NameN-phenyl-N-(2-phenylacetyl)prop-2-ynamide
SMILESC#CC(=O)N(C(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H13NO2/c1-2-16(19)18(15-11-7-4-8-12-15)17(20)13-14-9-5-3-6-10-14/h1,3-12H,13H2
InChIKeyLYOLPNRTQZOORV-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
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 N-phenyl-N-(2-phenylacetyl)prop-2-ynamide?
The IUPAC name of N-phenyl-N-(2-phenylacetyl)prop-2-ynamide (CID 118863760) is N-phenyl-N-(2-phenylacetyl)prop-2-ynamide.
What is the SMILES notation for N-phenyl-N-(2-phenylacetyl)prop-2-ynamide?
The canonical SMILES for N-phenyl-N-(2-phenylacetyl)prop-2-ynamide is C#CC(=O)N(C(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-(2-phenylacetyl)prop-2-ynamide?
The InChIKey is LYOLPNRTQZOORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-2-16(19)18(15-11-7-4-8-12-15)17(20)13-14-9-5-3-6-10-14/h1,3-12H,13H2.
What are the key properties of N-phenyl-N-(2-phenylacetyl)prop-2-ynamide?
N-phenyl-N-(2-phenylacetyl)prop-2-ynamide has a molecular weight of 263.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2-phenylacetyl)prop-2-ynamide is sourced from PubChem (CID 118863760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).