2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide

C16H23F3N2O3 — CID 86990345

IUPAC2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide
SMILESO=C(COCC(F)(F)F)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23F3N2O3/c17-16(18,19)9-24-8-14(23)21-20-13(22)7-15-4-10-1-11(5-15)3-12(2-10)6-15/h10-12H,1-9H2,(H,20,22)(H,21,23)
InChIKeyQLAIZYYGOKUFHZ-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.32
Rot. Bonds5

About 2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide

2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide (PubChem CID 86990345) has the molecular formula C16H23F3N2O3 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide
PubChem CID86990345
Molecular FormulaC16H23F3N2O3
Molecular Weight348.37 g/mol
Exact Mass348.17
IUPAC Name2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide
SMILESO=C(COCC(F)(F)F)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23F3N2O3/c17-16(18,19)9-24-8-14(23)21-20-13(22)7-15-4-10-1-11(5-15)3-12(2-10)6-15/h10-12H,1-9H2,(H,20,22)(H,21,23)
InChIKeyQLAIZYYGOKUFHZ-UHFFFAOYSA-N
XLogP2.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide
CID 75533847
2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 18285136
2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 9475144
(2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide
CID 7742298
2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 7601341
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
2-(1-adamantyl)-N'-[2-(4-cyanophenoxy)acetyl]acetohydrazide
CID 7917946
2-(1-adamantyl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 7917948
N'-[2-(1-adamantyl)acetyl]-2-cyclopentylacetohydrazide
CID 5021273
N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide
CID 7917870
(2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide
CID 7917939
2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide
CID 55334349

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide (CID 86990345) is 2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide is O=C(COCC(F)(F)F)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide?
The InChIKey is QLAIZYYGOKUFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3/c17-16(18,19)9-24-8-14(23)21-20-13(22)7-15-4-10-1-11(5-15)3-12(2-10)6-15/h10-12H,1-9H2,(H,20,22)(H,21,23).
What are the key properties of 2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide?
2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide has a molecular weight of 348.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide is sourced from PubChem (CID 86990345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).