N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide

C20H19NO3 — CID 51326556

IUPACN-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC#Cc2ccccc2)cc1
InChIInChI=1S/C20H19NO3/c1-2-19(22)17-10-12-18(13-11-17)24-15-20(23)21-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,14-15H2,1H3,(H,21,23)
InChIKeyVYPFAYWXIKMVQH-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.83
Rot. Bonds6

About N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide

N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 51326556) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide
PubChem CID51326556
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCC#Cc2ccccc2)cc1
InChIInChI=1S/C20H19NO3/c1-2-19(22)17-10-12-18(13-11-17)24-15-20(23)21-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,14-15H2,1H3,(H,21,23)
InChIKeyVYPFAYWXIKMVQH-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-ethoxyphenyl)-4-oxo-N-(3-phenylprop-2-ynyl)butanamide
CID 51332500
4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90549800
N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90550076
N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide
CID 7935611
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide
CID 86992179
N-(1,1-diphenylethyl)-2-(4-propanoylphenoxy)acetamide
CID 56522918
N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
CID 120828053
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 9220223
N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide
CID 78760477
2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 18109151
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide (CID 51326556) is N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NCC#Cc2ccccc2)cc1.
What is the InChIKey of N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is VYPFAYWXIKMVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-2-19(22)17-10-12-18(13-11-17)24-15-20(23)21-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,14-15H2,1H3,(H,21,23).
What are the key properties of N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide?
N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 51326556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).