N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide

C26H28N2O3 — CID 5132781

IUPACN'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H28N2O3/c29-23(10-20-15-31-22-6-5-19-3-1-2-4-21(19)25(20)22)27-28-24(30)14-26-11-16-7-17(12-26)9-18(8-16)13-26/h1-6,15-18H,7-14H2,(H,27,29)(H,28,30)
InChIKeyLVVQFRMXZCVOKI-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.88
Rot. Bonds4

About N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide

N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide (PubChem CID 5132781) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide
PubChem CID5132781
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H28N2O3/c29-23(10-20-15-31-22-6-5-19-3-1-2-4-21(19)25(20)22)27-28-24(30)14-26-11-16-7-17(12-26)9-18(8-16)13-26/h1-6,15-18H,7-14H2,(H,27,29)(H,28,30)
InChIKeyLVVQFRMXZCVOKI-UHFFFAOYSA-N
XLogP4.88
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.88
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-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
CID 4728287
N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 75669398
2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 9077912
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide
CID 29266482
2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4628724
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
2-benzo[e][1]benzofuran-1-yl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11919788
2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7964651
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide
CID 4728241
2-benzo[e][1]benzofuran-1-yl-N-(1,3-benzothiazol-2-ylmethyl)acetamide
CID 18110573

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide (CID 5132781) is N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide is O=C(Cc1coc2ccc3ccccc3c12)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide?
The InChIKey is LVVQFRMXZCVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c29-23(10-20-15-31-22-6-5-19-3-1-2-4-21(19)25(20)22)27-28-24(30)14-26-11-16-7-17(12-26)9-18(8-16)13-26/h1-6,15-18H,7-14H2,(H,27,29)(H,28,30).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide?
N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide has a molecular weight of 416.52 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide is sourced from PubChem (CID 5132781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).