N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C14H27N5O7 — CID 59798737

About N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 59798737) has the molecular formula C14H27N5O7 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 59798737
• Molecular Formula: C14H27N5O7
• Molecular Weight: 377.40 g/mol
• Exact Mass: 377.19
• IUPAC Name: N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)NC1C(NNC(=O)CCCCC(=O)NN)OC(CO)C(O)C1O
• InChI: InChI=1S/C14H27N5O7/c1-7(21)16-11-13(25)12(24)8(6-20)26-14(11)19-18-10(23)5-3-2-4-9(22)17-15/h8,11-14,19-20,24-25H,2-6,15H2,1H3,(H,16,21)(H,17,22)(H,18,23)
• InChIKey: QBJKOOMCDJNSMA-UHFFFAOYSA-N
• XLogP: -3.90
• TPSA: 195.27 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.40
LogP ≤ 5	-3.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The IUPAC name of N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 59798737) is N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

What is the SMILES notation for N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The canonical SMILES for N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)NC1C(NNC(=O)CCCCC(=O)NN)OC(CO)C(O)C1O.

What is the InChIKey of N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The InChIKey is QBJKOOMCDJNSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O7/c1-7(21)16-11-13(25)12(24)8(6-20)26-14(11)19-18-10(23)5-3-2-4-9(22)17-15/h8,11-14,19-20,24-25H,2-6,15H2,1H3,(H,16,21)(H,17,22)(H,18,23).

What are the key properties of N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 377.40 g/mol, XLogP of -3.90, 9 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 59798737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).