N-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide

C26H52N4O2 — CID 19021282

IUPACN-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide
SMILESCCCCCCCCCCCCN1C(C)(CC)CC(NC(=O)C(=O)NN)C(C)C1(C)CC
InChIInChI=1S/C26H52N4O2/c1-7-10-11-12-13-14-15-16-17-18-19-30-25(5,8-2)20-22(21(4)26(30,6)9-3)28-23(31)24(32)29-27/h21-22H,7-20,27H2,1-6H3,(H,28,31)(H,29,32)
InChIKeyXZTHXVNPWMVJIG-UHFFFAOYSA-N
MW452.73 g/mol
LogP5.06
Rot. Bonds14

About N-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide

N-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide (PubChem CID 19021282) has the molecular formula C26H52N4O2 and a molecular weight of 452.73 g/mol. Its IUPAC name is N-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide
PubChem CID19021282
Molecular FormulaC26H52N4O2
Molecular Weight452.73 g/mol
Exact Mass452.41
IUPAC NameN-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide
SMILESCCCCCCCCCCCCN1C(C)(CC)CC(NC(=O)C(=O)NN)C(C)C1(C)CC
InChIInChI=1S/C26H52N4O2/c1-7-10-11-12-13-14-15-16-17-18-19-30-25(5,8-2)20-22(21(4)26(30,6)9-3)28-23(31)24(32)29-27/h21-22H,7-20,27H2,1-6H3,(H,28,31)(H,29,32)
InChIKeyXZTHXVNPWMVJIG-UHFFFAOYSA-N
XLogP5.06
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.73
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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 N-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide (CID 19021282) is N-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide is CCCCCCCCCCCCN1C(C)(CC)CC(NC(=O)C(=O)NN)C(C)C1(C)CC.
What is the InChIKey of N-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide?
The InChIKey is XZTHXVNPWMVJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N4O2/c1-7-10-11-12-13-14-15-16-17-18-19-30-25(5,8-2)20-22(21(4)26(30,6)9-3)28-23(31)24(32)29-27/h21-22H,7-20,27H2,1-6H3,(H,28,31)(H,29,32).
What are the key properties of N-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide?
N-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide has a molecular weight of 452.73 g/mol, XLogP of 5.06, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 19021282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).