2-azido-N-heptan-2-ylacetamide

C9H18N4O — CID 61374566

IUPAC2-azido-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C9H18N4O/c1-3-4-5-6-8(2)12-9(14)7-11-13-10/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyVAFXHDCSOGCCHX-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.38
Rot. Bonds7

About 2-azido-N-heptan-2-ylacetamide

2-azido-N-heptan-2-ylacetamide (PubChem CID 61374566) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-azido-N-heptan-2-ylacetamide.

Molecular Properties

Compound Name2-azido-N-heptan-2-ylacetamide
PubChem CID61374566
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-azido-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C9H18N4O/c1-3-4-5-6-8(2)12-9(14)7-11-13-10/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyVAFXHDCSOGCCHX-UHFFFAOYSA-N
XLogP2.38
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.38
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-dodecan-2-ylpropanamide
CID 174988669
2-azido-N-octylacetamide
CID 91620085
ethyl 2-[(2-azidoacetyl)amino]propanoate
CID 102169102
N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide
CID 171478476
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842
3-amino-N-heptan-2-ylbutanamide
CID 60836862
2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
CID 71891384
3-hydroxy-N-octadecan-2-ylhexadecanamide
CID 174499474
N-hexan-2-ylbutanamide
CID 64592038
N-(5-bromopentan-2-yl)butanamide
CID 114316345

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-heptan-2-ylacetamide?
The IUPAC name of 2-azido-N-heptan-2-ylacetamide (CID 61374566) is 2-azido-N-heptan-2-ylacetamide.
What is the SMILES notation for 2-azido-N-heptan-2-ylacetamide?
The canonical SMILES for 2-azido-N-heptan-2-ylacetamide is CCCCCC(C)NC(=O)CN=[N+]=[N-].
What is the InChIKey of 2-azido-N-heptan-2-ylacetamide?
The InChIKey is VAFXHDCSOGCCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-4-5-6-8(2)12-9(14)7-11-13-10/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 2-azido-N-heptan-2-ylacetamide?
2-azido-N-heptan-2-ylacetamide has a molecular weight of 198.27 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-heptan-2-ylacetamide is sourced from PubChem (CID 61374566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).