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

C14H18N4O2 — CID 64511765

IUPAC2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCOc1cccc(CC(=O)N(C)Cc2n[nH]c(C)n2)c1
InChIInChI=1S/C14H18N4O2/c1-10-15-13(17-16-10)9-18(2)14(19)8-11-5-4-6-12(7-11)20-3/h4-7H,8-9H2,1-3H3,(H,15,16,17)
InChIKeyIQTVXHIWWMWGFT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.32
Rot. Bonds5

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

2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 64511765) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID64511765
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCOc1cccc(CC(=O)N(C)Cc2n[nH]c(C)n2)c1
InChIInChI=1S/C14H18N4O2/c1-10-15-13(17-16-10)9-18(2)14(19)8-11-5-4-6-12(7-11)20-3/h4-7H,8-9H2,1-3H3,(H,15,16,17)
InChIKeyIQTVXHIWWMWGFT-UHFFFAOYSA-N
XLogP1.32
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64510602
3-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511572
N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 110732936
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283
3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64512190
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346946
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 34656415
N-(1-hydroxypropan-2-yl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 113337596
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (CID 64511765) is 2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is COc1cccc(CC(=O)N(C)Cc2n[nH]c(C)n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is IQTVXHIWWMWGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-15-13(17-16-10)9-18(2)14(19)8-11-5-4-6-12(7-11)20-3/h4-7H,8-9H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 64511765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).