N-(4-azidobutyl)-2-ethylhexanamide

C12H24N4O — CID 106386552

IUPACN-(4-azidobutyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C12H24N4O/c1-3-5-8-11(4-2)12(17)14-9-6-7-10-15-16-13/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeyVLUMVXMWPSEADW-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.41
Rot. Bonds10

About N-(4-azidobutyl)-2-ethylhexanamide

N-(4-azidobutyl)-2-ethylhexanamide (PubChem CID 106386552) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(4-azidobutyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-2-ethylhexanamide
PubChem CID106386552
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-(4-azidobutyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C12H24N4O/c1-3-5-8-11(4-2)12(17)14-9-6-7-10-15-16-13/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeyVLUMVXMWPSEADW-UHFFFAOYSA-N
XLogP3.41
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.41
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

2-ethyl-N-pentylhexanamide
CID 5123867
N-(4-azidobutyl)-2-methylpentanamide
CID 106386395
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
N-(6-bromohexyl)-2-ethylhexanamide
CID 107847533
2-ethyl-N-undecylpentanamide
CID 160695439
N-(4-azidobutyl)hexanamide
CID 106386708
N-(4-azidobutyl)heptanamide
CID 106386394
2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide
CID 113340854
N-(3-azidopropyl)-2-methylpropanamide
CID 61343977
1-(4-azidobutyl)-3-propan-2-ylurea
CID 106386969
N-octadecyl-2-octylicosanamide
CID 154636535
N-(2-cyanoethyl)-2-ethylhexanamide
CID 62666386

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-2-ethylhexanamide?
The IUPAC name of N-(4-azidobutyl)-2-ethylhexanamide (CID 106386552) is N-(4-azidobutyl)-2-ethylhexanamide.
What is the SMILES notation for N-(4-azidobutyl)-2-ethylhexanamide?
The canonical SMILES for N-(4-azidobutyl)-2-ethylhexanamide is CCCCC(CC)C(=O)NCCCCN=[N+]=[N-].
What is the InChIKey of N-(4-azidobutyl)-2-ethylhexanamide?
The InChIKey is VLUMVXMWPSEADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-3-5-8-11(4-2)12(17)14-9-6-7-10-15-16-13/h11H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-(4-azidobutyl)-2-ethylhexanamide?
N-(4-azidobutyl)-2-ethylhexanamide has a molecular weight of 240.35 g/mol, XLogP of 3.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-2-ethylhexanamide is sourced from PubChem (CID 106386552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).