2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide

C19H22N4O2 — CID 75388312

IUPAC2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCOc1ccc2cccc(CC(=O)NCCCc3n[nH]c(C)n3)c2c1
InChIInChI=1S/C19H22N4O2/c1-13-21-18(23-22-13)7-4-10-20-19(24)11-15-6-3-5-14-8-9-16(25-2)12-17(14)15/h3,5-6,8-9,12H,4,7,10-11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyWXVGXYKNZMLRGZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.57
Rot. Bonds7

About 2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide

2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide (PubChem CID 75388312) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide
PubChem CID75388312
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCOc1ccc2cccc(CC(=O)NCCCc3n[nH]c(C)n3)c2c1
InChIInChI=1S/C19H22N4O2/c1-13-21-18(23-22-13)7-4-10-20-19(24)11-15-6-3-5-14-8-9-16(25-2)12-17(14)15/h3,5-6,8-9,12H,4,7,10-11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyWXVGXYKNZMLRGZ-UHFFFAOYSA-N
XLogP2.57
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]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

N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide
CID 19021866
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[3-(7-methoxynaphthalen-1-yl)propyl]cyclopentanecarboxamide
CID 19086062
N-(2-hydroxy-4-methylpentyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380191
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 120532234
N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide
CID 124612349
N-[[(2S)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(7-methoxynaphthalen-1-yl)acetamide
CID 124612350
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[3-(7-methoxynaphthalen-1-yl)propyl]cyclopropanecarbothioamide
CID 19086085

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide?
The IUPAC name of 2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide (CID 75388312) is 2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide is COc1ccc2cccc(CC(=O)NCCCc3n[nH]c(C)n3)c2c1.
What is the InChIKey of 2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide?
The InChIKey is WXVGXYKNZMLRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-21-18(23-22-13)7-4-10-20-19(24)11-15-6-3-5-14-8-9-16(25-2)12-17(14)15/h3,5-6,8-9,12H,4,7,10-11H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide?
2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxynaphthalen-1-yl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide is sourced from PubChem (CID 75388312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).