2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide

C19H21N3O — CID 22509817

IUPAC2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1ccc2cnn(CC(=O)NCCCc3ccccc3)c2c1
InChIInChI=1S/C19H21N3O/c1-15-9-10-17-13-21-22(18(17)12-15)14-19(23)20-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3,(H,20,23)
InChIKeyCPMIAGADZOBIBV-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.09
Rot. Bonds6

About 2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide

2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 22509817) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide
PubChem CID22509817
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1ccc2cnn(CC(=O)NCCCc3ccccc3)c2c1
InChIInChI=1S/C19H21N3O/c1-15-9-10-17-13-21-22(18(17)12-15)14-19(23)20-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3,(H,20,23)
InChIKeyCPMIAGADZOBIBV-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide
CID 22509911
N-(3-methoxypropyl)-2-(6-methylindazol-1-yl)acetamide
CID 22509905
2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-phenylpropyl)acetamide
CID 20884684
N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide
CID 22509900
2-(6-aminoindazol-1-yl)-N-benzylacetamide
CID 22693453
5-[(2-indazol-1-ylacetyl)amino]pentanoic acid
CID 119234556
2-(6-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 22509892
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 2100313
2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide
CID 20953720
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 32514079
N-[(4-methylphenyl)methyl]-2-(6-nitroindazol-1-yl)acetamide
CID 16797364

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide (CID 22509817) is 2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide is Cc1ccc2cnn(CC(=O)NCCCc3ccccc3)c2c1.
What is the InChIKey of 2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is CPMIAGADZOBIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-15-9-10-17-13-21-22(18(17)12-15)14-19(23)20-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3,(H,20,23).
What are the key properties of 2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide?
2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 307.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 22509817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).