N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide

C23H32N2O3 — CID 24538359

IUPACN'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide
SMILESCC(C)(C)c1ccccc1OCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O3/c1-22(2,3)18-6-4-5-7-19(18)28-14-20(26)24-25-21(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,8-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyXXTPKSUIWQIKPD-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.73
Rot. Bonds4

About N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide

N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide (PubChem CID 24538359) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide
PubChem CID24538359
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide
SMILESCC(C)(C)c1ccccc1OCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O3/c1-22(2,3)18-6-4-5-7-19(18)28-14-20(26)24-25-21(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,8-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyXXTPKSUIWQIKPD-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.73
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-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide
CID 42931140
N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide
CID 8800431
2-(1-adamantyl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 7917948
2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 18285136
2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 17051386
N'-[2-(2-tert-butylphenoxy)acetyl]-3-ethoxypropanehydrazide
CID 17050964
2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide
CID 55334349
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17050893
N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8640098
2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate
CID 9170941
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butylphenoxy)acetamide
CID 119523420
2-(1-adamantyl)-N'-[2-(2,3-dimethylphenoxy)acetyl]acetohydrazide
CID 8801829

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide?
The IUPAC name of N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide (CID 24538359) is N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide.
What is the SMILES notation for N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide?
The canonical SMILES for N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide is CC(C)(C)c1ccccc1OCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide?
The InChIKey is XXTPKSUIWQIKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-22(2,3)18-6-4-5-7-19(18)28-14-20(26)24-25-21(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,8-14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide?
N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide has a molecular weight of 384.52 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide is sourced from PubChem (CID 24538359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).