N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C17H21N3O2 — CID 5309499

IUPACN-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cn2cc3c(n2)CCCC3)c1
InChIInChI=1S/C17H21N3O2/c1-22-15-7-4-5-13(9-15)10-18-17(21)12-20-11-14-6-2-3-8-16(14)19-20/h4-5,7,9,11H,2-3,6,8,10,12H2,1H3,(H,18,21)
InChIKeyLUSHEDJCRQQMDS-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.09
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309499) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309499
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cn2cc3c(n2)CCCC3)c1
InChIInChI=1S/C17H21N3O2/c1-22-15-7-4-5-13(9-15)10-18-17(21)12-20-11-14-6-2-3-8-16(14)19-20/h4-5,7,9,11H,2-3,6,8,10,12H2,1H3,(H,18,21)
InChIKeyLUSHEDJCRQQMDS-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-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309499) is N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is COc1cccc(CNC(=O)Cn2cc3c(n2)CCCC3)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is LUSHEDJCRQQMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-22-15-7-4-5-13(9-15)10-18-17(21)12-20-11-14-6-2-3-8-16(14)19-20/h4-5,7,9,11H,2-3,6,8,10,12H2,1H3,(H,18,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[(3-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-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).