N'-(1-adamantyl)acetohydrazide

C12H20N2O — CID 57252172

IUPACN'-(1-adamantyl)acetohydrazide
SMILESCC(=O)NNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H20N2O/c1-8(15)13-14-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,14H,2-7H2,1H3,(H,13,15)
InChIKeyRECIIWUAERJIHV-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.60
Rot. Bonds2

About N'-(1-adamantyl)acetohydrazide

N'-(1-adamantyl)acetohydrazide (PubChem CID 57252172) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N'-(1-adamantyl)acetohydrazide.

Molecular Properties

Compound NameN'-(1-adamantyl)acetohydrazide
PubChem CID57252172
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN'-(1-adamantyl)acetohydrazide
SMILESCC(=O)NNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H20N2O/c1-8(15)13-14-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,14H,2-7H2,1H3,(H,13,15)
InChIKeyRECIIWUAERJIHV-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.60
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

N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
tert-butyl N-(1-adamantylamino)carbamate
CID 57256539
N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
2-[2-(1-adamantyl)hydrazinyl]propanoic acid;hydrochloride
CID 70525971
N-(4-hydroxy-1-adamantyl)acetamide
CID 14948121
N-[(3S,5R)-4-methyl-1-adamantyl]acetamide
CID 11896190
N-(1-adamantyloxy)acetamide
CID 87737951
N'-(1-adamantyl)-2,5-dichlorobenzohydrazide
CID 134120732
N-(1-adamantyl)-2-amino-2-ethylbutanamide
CID 79810373
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501
N-methyladamantan-1-amine
CID 19476

Frequently Asked Questions

What is the IUPAC name of N'-(1-adamantyl)acetohydrazide?
The IUPAC name of N'-(1-adamantyl)acetohydrazide (CID 57252172) is N'-(1-adamantyl)acetohydrazide.
What is the SMILES notation for N'-(1-adamantyl)acetohydrazide?
The canonical SMILES for N'-(1-adamantyl)acetohydrazide is CC(=O)NNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(1-adamantyl)acetohydrazide?
The InChIKey is RECIIWUAERJIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(15)13-14-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,14H,2-7H2,1H3,(H,13,15).
What are the key properties of N'-(1-adamantyl)acetohydrazide?
N'-(1-adamantyl)acetohydrazide has a molecular weight of 208.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)acetohydrazide is sourced from PubChem (CID 57252172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).