2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide

C16H24N6O — CID 177376614

IUPAC2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide
SMILESNCC(=O)NCCCCCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H24N6O/c17-13-15(23)18-11-7-2-1-3-8-12-22-20-16(19-21-22)14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13,17H2,(H,18,23)
InChIKeyYHCGLLFRCIJLAA-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.37
Rot. Bonds10

About 2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide

2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide (PubChem CID 177376614) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide
PubChem CID177376614
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide
SMILESNCC(=O)NCCCCCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H24N6O/c17-13-15(23)18-11-7-2-1-3-8-12-22-20-16(19-21-22)14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13,17H2,(H,18,23)
InChIKeyYHCGLLFRCIJLAA-UHFFFAOYSA-N
XLogP1.37
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.37
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-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide?
The IUPAC name of 2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide (CID 177376614) is 2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide.
What is the SMILES notation for 2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide?
The canonical SMILES for 2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide is NCC(=O)NCCCCCCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide?
The InChIKey is YHCGLLFRCIJLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c17-13-15(23)18-11-7-2-1-3-8-12-22-20-16(19-21-22)14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13,17H2,(H,18,23).
What are the key properties of 2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide?
2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[7-(5-phenyltetrazol-2-yl)heptyl]acetamide is sourced from PubChem (CID 177376614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).