1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide

C22H32N6O4 — CID 102432350

IUPAC1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide
SMILESO=C(CCCCCCC(=O)NNC(=O)CCn1cccc1)NNC(=O)CCn1cccc1
InChIInChI=1S/C22H32N6O4/c29-19(23-25-21(31)11-17-27-13-5-6-14-27)9-3-1-2-4-10-20(30)24-26-22(32)12-18-28-15-7-8-16-28/h5-8,13-16H,1-4,9-12,17-18H2,(H,23,29)(H,24,30)(H,25,31)(H,26,32)
InChIKeyYWKSBESJPCCGFB-UHFFFAOYSA-N
MW444.54 g/mol
LogP1.41
Rot. Bonds13

About 1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide

1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide (PubChem CID 102432350) has the molecular formula C22H32N6O4 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide.

Molecular Properties

Compound Name1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide
PubChem CID102432350
Molecular FormulaC22H32N6O4
Molecular Weight444.54 g/mol
Exact Mass444.25
IUPAC Name1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide
SMILESO=C(CCCCCCC(=O)NNC(=O)CCn1cccc1)NNC(=O)CCn1cccc1
InChIInChI=1S/C22H32N6O4/c29-19(23-25-21(31)11-17-27-13-5-6-14-27)9-3-1-2-4-10-20(30)24-26-22(32)12-18-28-15-7-8-16-28/h5-8,13-16H,1-4,9-12,17-18H2,(H,23,29)(H,24,30)(H,25,31)(H,26,32)
InChIKeyYWKSBESJPCCGFB-UHFFFAOYSA-N
XLogP1.41
TPSA126.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide?
The IUPAC name of 1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide (CID 102432350) is 1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide.
What is the SMILES notation for 1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide?
The canonical SMILES for 1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide is O=C(CCCCCCC(=O)NNC(=O)CCn1cccc1)NNC(=O)CCn1cccc1.
What is the InChIKey of 1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide?
The InChIKey is YWKSBESJPCCGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O4/c29-19(23-25-21(31)11-17-27-13-5-6-14-27)9-3-1-2-4-10-20(30)24-26-22(32)12-18-28-15-7-8-16-28/h5-8,13-16H,1-4,9-12,17-18H2,(H,23,29)(H,24,30)(H,25,31)(H,26,32).
What are the key properties of 1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide?
1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide has a molecular weight of 444.54 g/mol, XLogP of 1.41, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',8-N'-bis(3-pyrrol-1-ylpropanoyl)octanedihydrazide is sourced from PubChem (CID 102432350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).