N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide

C20H20N2O3 — CID 90550076

IUPACN,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
SMILESCN(C)C(=O)c1ccc(C#CCNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C20H20N2O3/c1-22(2)20(24)17-12-10-16(11-13-17)7-6-14-21-19(23)15-25-18-8-4-3-5-9-18/h3-5,8-13H,14-15H2,1-2H3,(H,21,23)
InChIKeyZJESYQXIVDXFLT-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.94
Rot. Bonds5

About N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide

N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide (PubChem CID 90550076) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
PubChem CID90550076
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
SMILESCN(C)C(=O)c1ccc(C#CCNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C20H20N2O3/c1-22(2)20(24)17-12-10-16(11-13-17)7-6-14-21-19(23)15-25-18-8-4-3-5-9-18/h3-5,8-13H,14-15H2,1-2H3,(H,21,23)
InChIKeyZJESYQXIVDXFLT-UHFFFAOYSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.94
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

4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90549800
N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide
CID 51326556
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide
CID 90551888
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806
methyl 4-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynylcarbamoyl]benzoate
CID 90549974
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide
CID 86992179
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-(trifluoromethyl)benzamide
CID 90550064
4-[3-[(2-indol-1-ylacetyl)amino]prop-1-ynyl]-N,N-dimethylbenzamide
CID 90549934
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90549535
4-[3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]prop-1-ynyl]-N,N-dimethylbenzamide
CID 90550095
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90550070
2-phenoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550785

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide (CID 90550076) is N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide is CN(C)C(=O)c1ccc(C#CCNC(=O)COc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide?
The InChIKey is ZJESYQXIVDXFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-22(2)20(24)17-12-10-16(11-13-17)7-6-14-21-19(23)15-25-18-8-4-3-5-9-18/h3-5,8-13H,14-15H2,1-2H3,(H,21,23).
What are the key properties of N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide?
N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide is sourced from PubChem (CID 90550076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).