2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide

C16H24N6O — CID 177376617

IUPAC2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide
SMILESCc1ccc(-c2nnn(CCCCCCNC(=O)CN)n2)cc1
InChIInChI=1S/C16H24N6O/c1-13-6-8-14(9-7-13)16-19-21-22(20-16)11-5-3-2-4-10-18-15(23)12-17/h6-9H,2-5,10-12,17H2,1H3,(H,18,23)
InChIKeyFHXCONPEHXKZRI-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.28
Rot. Bonds9

About 2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide

2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide (PubChem CID 177376617) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide
PubChem CID177376617
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide
SMILESCc1ccc(-c2nnn(CCCCCCNC(=O)CN)n2)cc1
InChIInChI=1S/C16H24N6O/c1-13-6-8-14(9-7-13)16-19-21-22(20-16)11-5-3-2-4-10-18-15(23)12-17/h6-9H,2-5,10-12,17H2,1H3,(H,18,23)
InChIKeyFHXCONPEHXKZRI-UHFFFAOYSA-N
XLogP1.28
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]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 2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide?
The IUPAC name of 2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide (CID 177376617) is 2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide.
What is the SMILES notation for 2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide?
The canonical SMILES for 2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide is Cc1ccc(-c2nnn(CCCCCCNC(=O)CN)n2)cc1.
What is the InChIKey of 2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide?
The InChIKey is FHXCONPEHXKZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-13-6-8-14(9-7-13)16-19-21-22(20-16)11-5-3-2-4-10-18-15(23)12-17/h6-9H,2-5,10-12,17H2,1H3,(H,18,23).
What are the key properties of 2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide?
2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-[5-(4-methylphenyl)tetrazol-2-yl]hexyl]acetamide is sourced from PubChem (CID 177376617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).