2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide

C12H20N4O — CID 91805360

IUPAC2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide
SMILESCC=C(C)CCC=C(C)CNC(=O)CN=[N+]=[N-]
InChIInChI=1S/C12H20N4O/c1-4-10(2)6-5-7-11(3)8-14-12(17)9-15-16-13/h4,7H,5-6,8-9H2,1-3H3,(H,14,17)
InChIKeyVATPULAOSSJQRC-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.11
Rot. Bonds7

About 2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide

2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide (PubChem CID 91805360) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide.

Molecular Properties

Compound Name2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide
PubChem CID91805360
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide
SMILESCC=C(C)CCC=C(C)CNC(=O)CN=[N+]=[N-]
InChIInChI=1S/C12H20N4O/c1-4-10(2)6-5-7-11(3)8-14-12(17)9-15-16-13/h4,7H,5-6,8-9H2,1-3H3,(H,14,17)
InChIKeyVATPULAOSSJQRC-UHFFFAOYSA-N
XLogP3.11
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-3,7-dimethylocta-2,6-dienamide
CID 60168614
(2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide
CID 71525237
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
CID 59266736
N'-[(2Z)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
CID 59266737
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
N'-(3,7-dimethylocta-2,6-dienyl)-N-ethyloxamide
CID 72265550
N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide
CID 10656024
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide
CID 11637078
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
(2E,6E,10E)-N-(2-aminoethyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 21297891
(2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
CID 21297915
(2E,6E)-N-(2-aminoethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 21297956

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide?
The IUPAC name of 2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide (CID 91805360) is 2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide.
What is the SMILES notation for 2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide?
The canonical SMILES for 2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide is CC=C(C)CCC=C(C)CNC(=O)CN=[N+]=[N-].
What is the InChIKey of 2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide?
The InChIKey is VATPULAOSSJQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-10(2)6-5-7-11(3)8-14-12(17)9-15-16-13/h4,7H,5-6,8-9H2,1-3H3,(H,14,17).
What are the key properties of 2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide?
2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide has a molecular weight of 236.32 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide is sourced from PubChem (CID 91805360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).