N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide

C20H22N4O3 — CID 171138808

IUPACN-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
SMILESCOc1ccccc1CCCNC(=O)COc1ncn(-c2ccccc2)n1
InChIInChI=1S/C20H22N4O3/c1-26-18-12-6-5-8-16(18)9-7-13-21-19(25)14-27-20-22-15-24(23-20)17-10-3-2-4-11-17/h2-6,8,10-12,15H,7,9,13-14H2,1H3,(H,21,25)
InChIKeyIUPBFAJPUJXNLS-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.40
Rot. Bonds9

About N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide

N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide (PubChem CID 171138808) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
PubChem CID171138808
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
SMILESCOc1ccccc1CCCNC(=O)COc1ncn(-c2ccccc2)n1
InChIInChI=1S/C20H22N4O3/c1-26-18-12-6-5-8-16(18)9-7-13-21-19(25)14-27-20-22-15-24(23-20)17-10-3-2-4-11-17/h2-6,8,10-12,15H,7,9,13-14H2,1H3,(H,21,25)
InChIKeyIUPBFAJPUJXNLS-UHFFFAOYSA-N
XLogP2.40
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138786
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
2-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)acetamide
CID 109000620
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138723
3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 55644256
2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 1486531
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
2-(2-methoxyphenyl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515649
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide
CID 100829206
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 27757113

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide (CID 171138808) is N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide is COc1ccccc1CCCNC(=O)COc1ncn(-c2ccccc2)n1.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The InChIKey is IUPBFAJPUJXNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-18-12-6-5-8-16(18)9-7-13-21-19(25)14-27-20-22-15-24(23-20)17-10-3-2-4-11-17/h2-6,8,10-12,15H,7,9,13-14H2,1H3,(H,21,25).
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide is sourced from PubChem (CID 171138808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).