N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide

C17H16N4O2 — CID 71861875

IUPACN-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide
SMILESCN(C(=O)Cn1ccnn1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C17H16N4O2/c1-20(17(22)13-21-12-11-18-19-21)15-9-5-6-10-16(15)23-14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeySJLRELDWJHJFBC-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.73
Rot. Bonds5

About N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide

N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide (PubChem CID 71861875) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide
PubChem CID71861875
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide
SMILESCN(C(=O)Cn1ccnn1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C17H16N4O2/c1-20(17(22)13-21-12-11-18-19-21)15-9-5-6-10-16(15)23-14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeySJLRELDWJHJFBC-UHFFFAOYSA-N
XLogP2.73
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide (CID 71861875) is N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide is CN(C(=O)Cn1ccnn1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide?
The InChIKey is SJLRELDWJHJFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-20(17(22)13-21-12-11-18-19-21)15-9-5-6-10-16(15)23-14-7-3-2-4-8-14/h2-12H,13H2,1H3.
What are the key properties of N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide?
N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyphenyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 71861875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).