N-(4-azidobutyl)acetamide

C6H12N4O — CID 14202060

IUPACN-(4-azidobutyl)acetamide
SMILESCC(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C6H12N4O/c1-6(11)8-4-2-3-5-9-10-7/h2-5H2,1H3,(H,8,11)
InChIKeyRNIWKIYROCKGQM-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.21
Rot. Bonds5

About N-(4-azidobutyl)acetamide

N-(4-azidobutyl)acetamide (PubChem CID 14202060) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is N-(4-azidobutyl)acetamide.

Molecular Properties

Compound NameN-(4-azidobutyl)acetamide
PubChem CID14202060
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC NameN-(4-azidobutyl)acetamide
SMILESCC(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C6H12N4O/c1-6(11)8-4-2-3-5-9-10-7/h2-5H2,1H3,(H,8,11)
InChIKeyRNIWKIYROCKGQM-UHFFFAOYSA-N
XLogP1.21
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)acetamide?
The IUPAC name of N-(4-azidobutyl)acetamide (CID 14202060) is N-(4-azidobutyl)acetamide.
What is the SMILES notation for N-(4-azidobutyl)acetamide?
The canonical SMILES for N-(4-azidobutyl)acetamide is CC(=O)NCCCCN=[N+]=[N-].
What is the InChIKey of N-(4-azidobutyl)acetamide?
The InChIKey is RNIWKIYROCKGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-6(11)8-4-2-3-5-9-10-7/h2-5H2,1H3,(H,8,11).
What are the key properties of N-(4-azidobutyl)acetamide?
N-(4-azidobutyl)acetamide has a molecular weight of 156.19 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)acetamide is sourced from PubChem (CID 14202060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).