N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide

C16H23F3N2O2 — CID 75533847

IUPACN'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide
SMILESCC(C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-9(16(17,18)19)14(23)21-20-13(22)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyODSQBCDSZMLHAO-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.94
Rot. Bonds3

About N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide

N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide (PubChem CID 75533847) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide
PubChem CID75533847
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC NameN'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide
SMILESCC(C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-9(16(17,18)19)14(23)21-20-13(22)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyODSQBCDSZMLHAO-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide
CID 86990345
(2R)-N'-[2-(1-adamantyl)acetyl]-2-phenoxypropanehydrazide
CID 7742298
(2S)-N'-[2-(1-adamantyl)acetyl]-2-(4-chlorophenoxy)propanehydrazide
CID 7917939
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
(2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
CID 95777128
N'-[2-(1-adamantyl)acetyl]-2-cyclopentylacetohydrazide
CID 5021273
(3S)-3-[[2-(1-adamantyl)acetyl]amino]butanoic acid
CID 51885616
N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide
CID 7917870
N-[(2S)-1-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9326208
N'-[2-(1-adamantyl)acetyl]-2-(4-nitrophenyl)sulfanylpropanehydrazide
CID 55360255
2-(1-adamantyl)-N-oxidoacetamide
CID 2050150

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide (CID 75533847) is N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide is CC(C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)C(F)(F)F.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide?
The InChIKey is ODSQBCDSZMLHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-9(16(17,18)19)14(23)21-20-13(22)8-15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide?
N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide has a molecular weight of 332.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide is sourced from PubChem (CID 75533847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).