N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide

C20H19NO3 — CID 90549535

IUPACN-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
SMILESCC(=O)c1ccc(C#CCNC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C20H19NO3/c1-15-6-3-4-8-19(15)24-14-20(23)21-13-5-7-17-9-11-18(12-10-17)16(2)22/h3-4,6,8-12H,13-14H2,1-2H3,(H,21,23)
InChIKeyOOLQZNHICFYLOZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.74
Rot. Bonds5

About N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide

N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide (PubChem CID 90549535) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
PubChem CID90549535
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
SMILESCC(=O)c1ccc(C#CCNC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C20H19NO3/c1-15-6-3-4-8-19(15)24-14-20(23)21-13-5-7-17-9-11-18(12-10-17)16(2)22/h3-4,6,8-12H,13-14H2,1-2H3,(H,21,23)
InChIKeyOOLQZNHICFYLOZ-UHFFFAOYSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90548986
2-(2-methylphenoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550577
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
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide
CID 86992179
2-ethoxy-N-[4-(2-methylphenoxy)but-2-ynyl]acetamide
CID 90575160
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(2-methylphenoxy)acetamide
CID 110661711
1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone
CID 20716241
N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide
CID 51326556
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide
CID 90549528
N-[3-(4-acetylphenyl)prop-2-ynyl]-3,4-diethoxybenzamide
CID 90549485

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide (CID 90549535) is N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide is CC(=O)c1ccc(C#CCNC(=O)COc2ccccc2C)cc1.
What is the InChIKey of N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is OOLQZNHICFYLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-15-6-3-4-8-19(15)24-14-20(23)21-13-5-7-17-9-11-18(12-10-17)16(2)22/h3-4,6,8-12H,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide?
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 90549535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).