1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide

C25H32N4O4 — CID 134124725

IUPAC1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide
SMILESCCCCC(CCCC)(C(=O)NNC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C25H32N4O4/c1-3-5-17-25(18-6-4-2,23(32)28-26-21(30)19-13-9-7-10-14-19)24(33)29-27-22(31)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)(H,29,33)
InChIKeySNHGBPVKEQXOPB-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.28
Rot. Bonds10

About 1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide

1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide (PubChem CID 134124725) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide.

Molecular Properties

Compound Name1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide
PubChem CID134124725
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide
SMILESCCCCC(CCCC)(C(=O)NNC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C25H32N4O4/c1-3-5-17-25(18-6-4-2,23(32)28-26-21(30)19-13-9-7-10-14-19)24(33)29-27-22(31)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)(H,29,33)
InChIKeySNHGBPVKEQXOPB-UHFFFAOYSA-N
XLogP3.28
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide?
The IUPAC name of 1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide (CID 134124725) is 1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide.
What is the SMILES notation for 1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide?
The canonical SMILES for 1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide is CCCCC(CCCC)(C(=O)NNC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of 1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide?
The InChIKey is SNHGBPVKEQXOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-3-5-17-25(18-6-4-2,23(32)28-26-21(30)19-13-9-7-10-14-19)24(33)29-27-22(31)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)(H,29,33).
What are the key properties of 1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide?
1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide has a molecular weight of 452.56 g/mol, XLogP of 3.28, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-dibenzoyl-2,2-dibutylpropanedihydrazide is sourced from PubChem (CID 134124725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).