2-azido-N-octylacetamide

C10H20N4O — CID 91620085

IUPAC2-azido-N-octylacetamide
SMILESCCCCCCCCNC(=O)CN=[N+]=[N-]
InChIInChI=1S/C10H20N4O/c1-2-3-4-5-6-7-8-12-10(15)9-13-14-11/h2-9H2,1H3,(H,12,15)
InChIKeyHYNPFNJQFKWSPN-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.77
Rot. Bonds9

About 2-azido-N-octylacetamide

2-azido-N-octylacetamide (PubChem CID 91620085) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-azido-N-octylacetamide.

Molecular Properties

Compound Name2-azido-N-octylacetamide
PubChem CID91620085
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-azido-N-octylacetamide
SMILESCCCCCCCCNC(=O)CN=[N+]=[N-]
InChIInChI=1S/C10H20N4O/c1-2-3-4-5-6-7-8-12-10(15)9-13-14-11/h2-9H2,1H3,(H,12,15)
InChIKeyHYNPFNJQFKWSPN-UHFFFAOYSA-N
XLogP2.77
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-azidobutyl)heptanamide
CID 106386394
N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide
CID 153280143
N-(4-azidobutyl)hexanamide
CID 106386708
N-(4-aminobutyl)-2-azidoacetamide
CID 137350213
N-[5-[(2-azidoacetyl)amino]pentyl]-2-dodecylsulfanylcarbothioylsulfanylbutanamide
CID 166038658
2-azido-N-[5-(prop-2-enylamino)pentyl]acetamide
CID 167167902
butyl N-[3-[2-[2-[3-[(2-azidoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]carbamate
CID 86649097
N-(2-acetamidoethyl)-2-azidoacetamide
CID 61374382
(9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide
CID 53251543
1-propyl-3-tridecylurea
CID 10934987
N-[(2S)-3-azido-1-(hexylamino)-1-oxopropan-2-yl]heptanamide
CID 167356814
methyl (2S)-2-amino-6-[(2-azidoacetyl)amino]hexanoate
CID 118655343

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-octylacetamide?
The IUPAC name of 2-azido-N-octylacetamide (CID 91620085) is 2-azido-N-octylacetamide.
What is the SMILES notation for 2-azido-N-octylacetamide?
The canonical SMILES for 2-azido-N-octylacetamide is CCCCCCCCNC(=O)CN=[N+]=[N-].
What is the InChIKey of 2-azido-N-octylacetamide?
The InChIKey is HYNPFNJQFKWSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-2-3-4-5-6-7-8-12-10(15)9-13-14-11/h2-9H2,1H3,(H,12,15).
What are the key properties of 2-azido-N-octylacetamide?
2-azido-N-octylacetamide has a molecular weight of 212.30 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-octylacetamide is sourced from PubChem (CID 91620085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).