4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide

C16H30N8O4 — CID 59248185

IUPAC4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide
SMILESCC(COCCOCC(C)NC(=O)CCCN=[N+]=[N-])NC(=O)CCCN=[N+]=[N-]
InChIInChI=1S/C16H30N8O4/c1-13(21-15(25)5-3-7-19-23-17)11-27-9-10-28-12-14(2)22-16(26)6-4-8-20-24-18/h13-14H,3-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyUEVMXNGTIMLLBX-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.21
Rot. Bonds17

About 4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide

4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide (PubChem CID 59248185) has the molecular formula C16H30N8O4 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide.

Molecular Properties

Compound Name4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide
PubChem CID59248185
Molecular FormulaC16H30N8O4
Molecular Weight398.47 g/mol
Exact Mass398.24
IUPAC Name4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide
SMILESCC(COCCOCC(C)NC(=O)CCCN=[N+]=[N-])NC(=O)CCCN=[N+]=[N-]
InChIInChI=1S/C16H30N8O4/c1-13(21-15(25)5-3-7-19-23-17)11-27-9-10-28-12-14(2)22-16(26)6-4-8-20-24-18/h13-14H,3-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyUEVMXNGTIMLLBX-UHFFFAOYSA-N
XLogP2.21
TPSA174.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(2S)-2-(4-azidobutanoylamino)propanoic acid
CID 168749789
6-azido-N-propan-2-ylhexanamide
CID 151413918
6-(6-azidohexanoylamino)-7-(2-carboxyethoxy)heptanoic acid
CID 176815937
(2S)-2-(4-azidobutanoylamino)-N-[6-[[(2S)-2-(4-azidobutanoylamino)-3-methylbutanoyl]amino]hexyl]-3-methylbutanamide
CID 132577374
(2R)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574979
(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574815
1-azido-7-(7-azido-4-oxoheptoxy)heptan-4-one
CID 157229574
2-[2-(4-azidobutanoylamino)propanoylamino]pentanedioic acid
CID 122616995
5-hydroxy-N-(1-methoxypropan-2-yl)pentanamide
CID 79199618
6-azido-N-methylhexanamide
CID 130188396
N-(4-azidobutyl)-4-ethoxybutanamide
CID 106386746
(2S)-5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 118070907

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide?
The IUPAC name of 4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide (CID 59248185) is 4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide.
What is the SMILES notation for 4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide?
The canonical SMILES for 4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide is CC(COCCOCC(C)NC(=O)CCCN=[N+]=[N-])NC(=O)CCCN=[N+]=[N-].
What is the InChIKey of 4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide?
The InChIKey is UEVMXNGTIMLLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N8O4/c1-13(21-15(25)5-3-7-19-23-17)11-27-9-10-28-12-14(2)22-16(26)6-4-8-20-24-18/h13-14H,3-12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide?
4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide has a molecular weight of 398.47 g/mol, XLogP of 2.21, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide is sourced from PubChem (CID 59248185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).