N-phenacyl-3-phenylprop-2-ynamide

C17H13NO2 — CID 155676279

IUPACN-phenacyl-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCC(=O)c1ccccc1
InChIInChI=1S/C17H13NO2/c19-16(15-9-5-2-6-10-15)13-18-17(20)12-11-14-7-3-1-4-8-14/h1-10H,13H2,(H,18,20)
InChIKeyCCSUSENJBWAAMA-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.04
Rot. Bonds3

About N-phenacyl-3-phenylprop-2-ynamide

N-phenacyl-3-phenylprop-2-ynamide (PubChem CID 155676279) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-phenacyl-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-phenacyl-3-phenylprop-2-ynamide
PubChem CID155676279
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC NameN-phenacyl-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCC(=O)c1ccccc1
InChIInChI=1S/C17H13NO2/c19-16(15-9-5-2-6-10-15)13-18-17(20)12-11-14-7-3-1-4-8-14/h1-10H,13H2,(H,18,20)
InChIKeyCCSUSENJBWAAMA-UHFFFAOYSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
N-butyl-3-phenylprop-2-ynamide
CID 141247412
N-(2-hydroxypropyl)-3-phenylprop-2-ynamide
CID 43501186
N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide
CID 11805711
N-hexyl-3-phenylprop-2-ynamide
CID 155936824
2,2-dimethyl-N-phenacylbutanamide
CID 64991408
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
CID 111825050
1,7-diphenylhepta-1,6-diyne-3,5-dione
CID 118147501
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide
CID 115362542
carbon monoxide;cobalt;3-phenyl-N-prop-2-enylprop-2-ynamide
CID 11733398
N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide
CID 64538951
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423

Frequently Asked Questions

What is the IUPAC name of N-phenacyl-3-phenylprop-2-ynamide?
The IUPAC name of N-phenacyl-3-phenylprop-2-ynamide (CID 155676279) is N-phenacyl-3-phenylprop-2-ynamide.
What is the SMILES notation for N-phenacyl-3-phenylprop-2-ynamide?
The canonical SMILES for N-phenacyl-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)NCC(=O)c1ccccc1.
What is the InChIKey of N-phenacyl-3-phenylprop-2-ynamide?
The InChIKey is CCSUSENJBWAAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-16(15-9-5-2-6-10-15)13-18-17(20)12-11-14-7-3-1-4-8-14/h1-10H,13H2,(H,18,20).
What are the key properties of N-phenacyl-3-phenylprop-2-ynamide?
N-phenacyl-3-phenylprop-2-ynamide has a molecular weight of 263.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenacyl-3-phenylprop-2-ynamide is sourced from PubChem (CID 155676279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).