3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide

C30H54N4O3 — CID 23136089

IUPAC3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide
SMILESNNC(=O)CCC1CCC(OC2(C3CCCCC3)CCC(CCC(=O)NN)CC2)(C2CCCCC2)CC1
InChIInChI=1S/C30H54N4O3/c31-33-27(35)13-11-23-15-19-29(20-16-23,25-7-3-1-4-8-25)37-30(26-9-5-2-6-10-26)21-17-24(18-22-30)12-14-28(36)34-32/h23-26H,1-22,31-32H2,(H,33,35)(H,34,36)
InChIKeyCADGTQSCSMYMAK-UHFFFAOYSA-N
MW518.79 g/mol
LogP5.56
Rot. Bonds10

About 3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide

3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide (PubChem CID 23136089) has the molecular formula C30H54N4O3 and a molecular weight of 518.79 g/mol. Its IUPAC name is 3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide.

Molecular Properties

Compound Name3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide
PubChem CID23136089
Molecular FormulaC30H54N4O3
Molecular Weight518.79 g/mol
Exact Mass518.42
IUPAC Name3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide
SMILESNNC(=O)CCC1CCC(OC2(C3CCCCC3)CCC(CCC(=O)NN)CC2)(C2CCCCC2)CC1
InChIInChI=1S/C30H54N4O3/c31-33-27(35)13-11-23-15-19-29(20-16-23,25-7-3-1-4-8-25)37-30(26-9-5-2-6-10-26)21-17-24(18-22-30)12-14-28(36)34-32/h23-26H,1-22,31-32H2,(H,33,35)(H,34,36)
InChIKeyCADGTQSCSMYMAK-UHFFFAOYSA-N
XLogP5.56
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.79
LogP ≤ 55.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide?
The IUPAC name of 3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide (CID 23136089) is 3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide.
What is the SMILES notation for 3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide?
The canonical SMILES for 3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide is NNC(=O)CCC1CCC(OC2(C3CCCCC3)CCC(CCC(=O)NN)CC2)(C2CCCCC2)CC1.
What is the InChIKey of 3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide?
The InChIKey is CADGTQSCSMYMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N4O3/c31-33-27(35)13-11-23-15-19-29(20-16-23,25-7-3-1-4-8-25)37-30(26-9-5-2-6-10-26)21-17-24(18-22-30)12-14-28(36)34-32/h23-26H,1-22,31-32H2,(H,33,35)(H,34,36).
What are the key properties of 3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide?
3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide has a molecular weight of 518.79 g/mol, XLogP of 5.56, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclohexyl-4-[1-cyclohexyl-4-(3-hydrazinyl-3-oxopropyl)cyclohexyl]oxycyclohexyl]propanehydrazide is sourced from PubChem (CID 23136089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).