2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide

C15H22N6O — CID 177376609

IUPAC2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide
SMILESNCC(=O)NCCCCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H22N6O/c16-12-14(22)17-10-6-1-2-7-11-21-19-15(18-20-21)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12,16H2,(H,17,22)
InChIKeyRTSXVOSXQSUUPB-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.98
Rot. Bonds9

About 2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide

2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide (PubChem CID 177376609) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide
PubChem CID177376609
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide
SMILESNCC(=O)NCCCCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H22N6O/c16-12-14(22)17-10-6-1-2-7-11-21-19-15(18-20-21)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12,16H2,(H,17,22)
InChIKeyRTSXVOSXQSUUPB-UHFFFAOYSA-N
XLogP0.98
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.98
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-phenyltetrazol-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

Related Compounds

2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide
CID 177376615
2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide
CID 177376612
2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide
CID 177376627
N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
CID 62447153
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
methyl (2S)-2-[(2-iodoacetyl)amino]-6-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]hexanoate
CID 156529829
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide
CID 111484159
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 95295934
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide?
The IUPAC name of 2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide (CID 177376609) is 2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide.
What is the SMILES notation for 2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide?
The canonical SMILES for 2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide is NCC(=O)NCCCCCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide?
The InChIKey is RTSXVOSXQSUUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c16-12-14(22)17-10-6-1-2-7-11-21-19-15(18-20-21)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12,16H2,(H,17,22).
What are the key properties of 2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide?
2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.98, 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-phenyltetrazol-2-yl)hexyl]acetamide is sourced from PubChem (CID 177376609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).