N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

C13H21N3O2 — CID 5307153

IUPACN-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCOCCNC(=O)Cn1cc2c(n1)CCC(C)C2
InChIInChI=1S/C13H21N3O2/c1-10-3-4-12-11(7-10)8-16(15-12)9-13(17)14-5-6-18-2/h8,10H,3-7,9H2,1-2H3,(H,14,17)
InChIKeyJTTYACLKNABFSJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.77
Rot. Bonds5

About N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5307153) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5307153
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCOCCNC(=O)Cn1cc2c(n1)CCC(C)C2
InChIInChI=1S/C13H21N3O2/c1-10-3-4-12-11(7-10)8-16(15-12)9-13(17)14-5-6-18-2/h8,10H,3-7,9H2,1-2H3,(H,14,17)
InChIKeyJTTYACLKNABFSJ-UHFFFAOYSA-N
XLogP0.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5307153) is N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is COCCNC(=O)Cn1cc2c(n1)CCC(C)C2.
What is the InChIKey of N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is JTTYACLKNABFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-3-4-12-11(7-10)8-16(15-12)9-13(17)14-5-6-18-2/h8,10H,3-7,9H2,1-2H3,(H,14,17).
What are the key properties of N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5307153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).