N-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C17H21N3O2 — CID 5309686

IUPACN-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cn1cc2c(n1)CCCC2
InChIInChI=1S/C17H21N3O2/c1-22-16-9-5-3-6-13(16)10-18-17(21)12-20-11-14-7-2-4-8-15(14)19-20/h3,5-6,9,11H,2,4,7-8,10,12H2,1H3,(H,18,21)
InChIKeyUNCGGDWPSVMMCM-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.09
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309686) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309686
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cn1cc2c(n1)CCCC2
InChIInChI=1S/C17H21N3O2/c1-22-16-9-5-3-6-13(16)10-18-17(21)12-20-11-14-7-2-4-8-15(14)19-20/h3,5-6,9,11H,2,4,7-8,10,12H2,1H3,(H,18,21)
InChIKeyUNCGGDWPSVMMCM-UHFFFAOYSA-N
XLogP2.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309686) is N-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is COc1ccccc1CNC(=O)Cn1cc2c(n1)CCCC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is UNCGGDWPSVMMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-22-16-9-5-3-6-13(16)10-18-17(21)12-20-11-14-7-2-4-8-15(14)19-20/h3,5-6,9,11H,2,4,7-8,10,12H2,1H3,(H,18,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).