N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide

C20H20N2O3 — CID 90550364

IUPACN-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide
SMILESCNC(=O)c1ccccc1C#CCNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C20H20N2O3/c1-15-9-11-17(12-10-15)25-14-19(23)22-13-5-7-16-6-3-4-8-18(16)20(24)21-2/h3-4,6,8-12H,13-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQPANTGIPGPRJDZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.90
Rot. Bonds5

About N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide

N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide (PubChem CID 90550364) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide
PubChem CID90550364
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide
SMILESCNC(=O)c1ccccc1C#CCNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C20H20N2O3/c1-15-9-11-17(12-10-15)25-14-19(23)22-13-5-7-16-6-3-4-8-18(16)20(24)21-2/h3-4,6,8-12H,13-14H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQPANTGIPGPRJDZ-UHFFFAOYSA-N
XLogP1.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide
CID 90552168
2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide
CID 90550373
2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide
CID 90553632
2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide
CID 90547905
4-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
CID 90550468
2-[3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]prop-1-ynyl]-N-methylbenzamide
CID 90550473
2-phenoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550785
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
3-(4-fluorophenyl)-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90550231
3-methoxy-1-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]pyrazole-4-carboxamide
CID 90550436
N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide
CID 90550420
4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90549800

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide?
The IUPAC name of N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide (CID 90550364) is N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide.
What is the SMILES notation for N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide?
The canonical SMILES for N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide is CNC(=O)c1ccccc1C#CCNC(=O)COc1ccc(C)cc1.
What is the InChIKey of N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide?
The InChIKey is QPANTGIPGPRJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-15-9-11-17(12-10-15)25-14-19(23)22-13-5-7-16-6-3-4-8-18(16)20(24)21-2/h3-4,6,8-12H,13-14H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide?
N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide is sourced from PubChem (CID 90550364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).