2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide

C17H26N6O — CID 177376615

IUPAC2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide
SMILESNCC(=O)NCCCCCCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H26N6O/c18-14-16(24)19-12-8-3-1-2-4-9-13-23-21-17(20-22-23)15-10-6-5-7-11-15/h5-7,10-11H,1-4,8-9,12-14,18H2,(H,19,24)
InChIKeyVBNSXSQLBAVPFZ-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.76
Rot. Bonds11

About 2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide

2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide (PubChem CID 177376615) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide
PubChem CID177376615
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide
SMILESNCC(=O)NCCCCCCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H26N6O/c18-14-16(24)19-12-8-3-1-2-4-9-13-23-21-17(20-22-23)15-10-6-5-7-11-15/h5-7,10-11H,1-4,8-9,12-14,18H2,(H,19,24)
InChIKeyVBNSXSQLBAVPFZ-UHFFFAOYSA-N
XLogP1.76
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide?
The IUPAC name of 2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide (CID 177376615) is 2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide.
What is the SMILES notation for 2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide?
The canonical SMILES for 2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide is NCC(=O)NCCCCCCCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide?
The InChIKey is VBNSXSQLBAVPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c18-14-16(24)19-12-8-3-1-2-4-9-13-23-21-17(20-22-23)15-10-6-5-7-11-15/h5-7,10-11H,1-4,8-9,12-14,18H2,(H,19,24).
What are the key properties of 2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide?
2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide has a molecular weight of 330.44 g/mol, XLogP of 1.76, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide is sourced from PubChem (CID 177376615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).