7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide

C11H22N4O2 — CID 86614265

IUPAC7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide
SMILESCC(C)(C)ONC(=O)CCCCCCN=[N+]=[N-]
InChIInChI=1S/C11H22N4O2/c1-11(2,3)17-14-10(16)8-6-4-5-7-9-13-15-12/h4-9H2,1-3H3,(H,14,16)
InChIKeyJRCIOFZLGPVARO-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.09
Rot. Bonds8

About 7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide

7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide (PubChem CID 86614265) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide.

Molecular Properties

Compound Name7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide
PubChem CID86614265
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide
SMILESCC(C)(C)ONC(=O)CCCCCCN=[N+]=[N-]
InChIInChI=1S/C11H22N4O2/c1-11(2,3)17-14-10(16)8-6-4-5-7-9-13-15-12/h4-9H2,1-3H3,(H,14,16)
InChIKeyJRCIOFZLGPVARO-UHFFFAOYSA-N
XLogP3.09
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide?
The IUPAC name of 7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide (CID 86614265) is 7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide.
What is the SMILES notation for 7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide?
The canonical SMILES for 7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide is CC(C)(C)ONC(=O)CCCCCCN=[N+]=[N-].
What is the InChIKey of 7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide?
The InChIKey is JRCIOFZLGPVARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-11(2,3)17-14-10(16)8-6-4-5-7-9-13-15-12/h4-9H2,1-3H3,(H,14,16).
What are the key properties of 7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide?
7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide has a molecular weight of 242.32 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide is sourced from PubChem (CID 86614265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).