N-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C18H23N3O — CID 5309270

IUPACN-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cc2c(n1)CCCC2
InChIInChI=1S/C18H23N3O/c1-2-20(12-15-8-4-3-5-9-15)18(22)14-21-13-16-10-6-7-11-17(16)19-21/h3-5,8-9,13H,2,6-7,10-12,14H2,1H3
InChIKeyLJZYIWDONBNXFH-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.81
Rot. Bonds5

About N-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309270) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309270
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cc2c(n1)CCCC2
InChIInChI=1S/C18H23N3O/c1-2-20(12-15-8-4-3-5-9-15)18(22)14-21-13-16-10-6-7-11-17(16)19-21/h3-5,8-9,13H,2,6-7,10-12,14H2,1H3
InChIKeyLJZYIWDONBNXFH-UHFFFAOYSA-N
XLogP2.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309270) is N-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is CCN(Cc1ccccc1)C(=O)Cn1cc2c(n1)CCCC2.
What is the InChIKey of N-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is LJZYIWDONBNXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-20(12-15-8-4-3-5-9-15)18(22)14-21-13-16-10-6-7-11-17(16)19-21/h3-5,8-9,13H,2,6-7,10-12,14H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 297.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).