N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide

C17H22N6O2 — CID 170586790

IUPACN-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
SMILESCc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C17H22N6O2/c1-11-6-7-13-12(9-11)17(2,3)16(25)23(13)10-15(24)18-8-4-5-14-19-21-22-20-14/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,24)(H,19,20,21,22)
InChIKeyGGDIMPFDWVIUJT-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.88
Rot. Bonds6

About N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide

N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide (PubChem CID 170586790) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
PubChem CID170586790
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
SMILESCc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C17H22N6O2/c1-11-6-7-13-12(9-11)17(2,3)16(25)23(13)10-15(24)18-8-4-5-14-19-21-22-20-14/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,24)(H,19,20,21,22)
InChIKeyGGDIMPFDWVIUJT-UHFFFAOYSA-N
XLogP0.88
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide (CID 170586790) is N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide is Cc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)NCCCc1nn[nH]n1.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide?
The InChIKey is GGDIMPFDWVIUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11-6-7-13-12(9-11)17(2,3)16(25)23(13)10-15(24)18-8-4-5-14-19-21-22-20-14/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,24)(H,19,20,21,22).
What are the key properties of N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide?
N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)propyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide is sourced from PubChem (CID 170586790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).