3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide

C25H43N3O2 — CID 10273480

IUPAC3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide
SMILESCC(CCN(NC(=O)C(O)C(N)CC1CCCCC1)c1ccccc1)CC(C)(C)C
InChIInChI=1S/C25H43N3O2/c1-19(18-25(2,3)4)15-16-28(21-13-9-6-10-14-21)27-24(30)23(29)22(26)17-20-11-7-5-8-12-20/h6,9-10,13-14,19-20,22-23,29H,5,7-8,11-12,15-18,26H2,1-4H3,(H,27,30)
InChIKeyALGBNOGQFNKXTQ-UHFFFAOYSA-N
MW417.64 g/mol
LogP4.65
Rot. Bonds10

About 3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide

3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide (PubChem CID 10273480) has the molecular formula C25H43N3O2 and a molecular weight of 417.64 g/mol. Its IUPAC name is 3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide.

Molecular Properties

Compound Name3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide
PubChem CID10273480
Molecular FormulaC25H43N3O2
Molecular Weight417.64 g/mol
Exact Mass417.34
IUPAC Name3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide
SMILESCC(CCN(NC(=O)C(O)C(N)CC1CCCCC1)c1ccccc1)CC(C)(C)C
InChIInChI=1S/C25H43N3O2/c1-19(18-25(2,3)4)15-16-28(21-13-9-6-10-14-21)27-24(30)23(29)22(26)17-20-11-7-5-8-12-20/h6,9-10,13-14,19-20,22-23,29H,5,7-8,11-12,15-18,26H2,1-4H3,(H,27,30)
InChIKeyALGBNOGQFNKXTQ-UHFFFAOYSA-N
XLogP4.65
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.64
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide?
The IUPAC name of 3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide (CID 10273480) is 3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide.
What is the SMILES notation for 3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide?
The canonical SMILES for 3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide is CC(CCN(NC(=O)C(O)C(N)CC1CCCCC1)c1ccccc1)CC(C)(C)C.
What is the InChIKey of 3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide?
The InChIKey is ALGBNOGQFNKXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O2/c1-19(18-25(2,3)4)15-16-28(21-13-9-6-10-14-21)27-24(30)23(29)22(26)17-20-11-7-5-8-12-20/h6,9-10,13-14,19-20,22-23,29H,5,7-8,11-12,15-18,26H2,1-4H3,(H,27,30).
What are the key properties of 3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide?
3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide has a molecular weight of 417.64 g/mol, XLogP of 4.65, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclohexyl-2-hydroxy-N'-phenyl-N'-(3,5,5-trimethylhexyl)butanehydrazide is sourced from PubChem (CID 10273480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).