4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide

C8H16N6O2 — CID 90767809

IUPAC4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide
SMILESCC(=O)NNCCCC(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C8H16N6O2/c1-7(15)13-11-4-2-3-8(16)10-5-6-12-14-9/h11H,2-6H2,1H3,(H,10,16)(H,13,15)
InChIKeyDKIZMTMDMUBPAI-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.17
Rot. Bonds8

About 4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide

4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide (PubChem CID 90767809) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide.

Molecular Properties

Compound Name4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide
PubChem CID90767809
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide
SMILESCC(=O)NNCCCC(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C8H16N6O2/c1-7(15)13-11-4-2-3-8(16)10-5-6-12-14-9/h11H,2-6H2,1H3,(H,10,16)(H,13,15)
InChIKeyDKIZMTMDMUBPAI-UHFFFAOYSA-N
XLogP-0.17
TPSA118.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[1-(Hydrazinecarbonyl)propylamino]ethylamino]butanehydrazide
CID 469949
N-[3-(hydrazinecarbonyl)propyl]-2,2-dimethylpropanamide
CID 43132144
N-butyl-4-(2,2-dimethylhydrazinyl)-4-oxobutanamide
CID 2232760
2-acetamido-N-(1-hydrazinyl-1-oxopropan-2-yl)propanamide
CID 20655912
N-[4-[2-(4-acetamidobutanoyl)hydrazinyl]-4-oxobutyl]butanamide
CID 56606505
N-[3-[2-(3-acetamidopropanoyl)hydrazinyl]-3-oxopropyl]butanamide
CID 56609020
N-[2-[2-(2-acetamidoacetyl)hydrazinyl]-2-oxoethyl]butanamide
CID 56982020
N-[2-(2-acetamido-2-acetylhydrazinyl)-2-oxoethyl]butanamide
CID 57060379
N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide
CID 57228760
4-hydrazinyl-4-oxo-N-propylbutanamide
CID 57757141
CID 59683959
CID 59683959
2-(2-propanoylhydrazinyl)-N-propylacetamide
CID 87563910

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide?
The IUPAC name of 4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide (CID 90767809) is 4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide.
What is the SMILES notation for 4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide?
The canonical SMILES for 4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide is CC(=O)NNCCCC(=O)NCCN=[N+]=[N-].
What is the InChIKey of 4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide?
The InChIKey is DKIZMTMDMUBPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c1-7(15)13-11-4-2-3-8(16)10-5-6-12-14-9/h11H,2-6H2,1H3,(H,10,16)(H,13,15).
What are the key properties of 4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide?
4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide has a molecular weight of 228.26 g/mol, XLogP of -0.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylhydrazinyl)-N-(2-azidoethyl)butanamide is sourced from PubChem (CID 90767809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).