3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide

C12H22N8O2 — CID 15725826

IUPAC3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide
SMILESCC(CC(=O)NCCCCNC(=O)CC(C)N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C12H22N8O2/c1-9(17-19-13)7-11(21)15-5-3-4-6-16-12(22)8-10(2)18-20-14/h9-10H,3-8H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyGFLBWRLTAWXKMM-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.18
Rot. Bonds11

About 3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide

3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide (PubChem CID 15725826) has the molecular formula C12H22N8O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide.

Molecular Properties

Compound Name3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide
PubChem CID15725826
Molecular FormulaC12H22N8O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide
SMILESCC(CC(=O)NCCCCNC(=O)CC(C)N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C12H22N8O2/c1-9(17-19-13)7-11(21)15-5-3-4-6-16-12(22)8-10(2)18-20-14/h9-10H,3-8H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyGFLBWRLTAWXKMM-UHFFFAOYSA-N
XLogP2.18
TPSA155.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-3-methylbutanamide
CID 106386682
N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide
CID 153280143
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
2-azido-N-octylacetamide
CID 91620085
N-(3-azidopropyl)-3,5,5-trimethylhexanamide
CID 61344869
2-azido-N-propylpropanamide
CID 61373269
3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
N-(4-azidobutyl)hexanamide
CID 106386708
tert-butyl N-(2-azidopropyl)carbamate
CID 23122173
ethane;3-methyl-N-nonylbutanamide;prop-1-ene
CID 170638874
N-(4-azidobutyl)-2-methylpentanamide
CID 106386395
N-(4-azidobutyl)heptanamide
CID 106386394

Frequently Asked Questions

What is the IUPAC name of 3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide?
The IUPAC name of 3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide (CID 15725826) is 3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide.
What is the SMILES notation for 3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide?
The canonical SMILES for 3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide is CC(CC(=O)NCCCCNC(=O)CC(C)N=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of 3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide?
The InChIKey is GFLBWRLTAWXKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N8O2/c1-9(17-19-13)7-11(21)15-5-3-4-6-16-12(22)8-10(2)18-20-14/h9-10H,3-8H2,1-2H3,(H,15,21)(H,16,22).
What are the key properties of 3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide?
3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide has a molecular weight of 310.36 g/mol, XLogP of 2.18, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-N-[4-(3-azidobutanoylamino)butyl]butanamide is sourced from PubChem (CID 15725826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).