N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide

C23H29N3O2 — CID 18107729

IUPACN'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide
SMILESO=C(CCn1ccc2ccccc21)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29N3O2/c27-21(6-8-26-7-5-19-3-1-2-4-20(19)26)24-25-22(28)15-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-5,7,16-18H,6,8-15H2,(H,24,27)(H,25,28)
InChIKeyHBRBPUSAQIPSPY-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.79
Rot. Bonds5

About N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide

N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide (PubChem CID 18107729) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide
PubChem CID18107729
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide
SMILESO=C(CCn1ccc2ccccc21)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29N3O2/c27-21(6-8-26-7-5-19-3-1-2-4-20(19)26)24-25-22(28)15-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-5,7,16-18H,6,8-15H2,(H,24,27)(H,25,28)
InChIKeyHBRBPUSAQIPSPY-UHFFFAOYSA-N
XLogP3.79
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.79
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-(1-adamantylmethyl)-3-indol-1-ylpropanamide
CID 27514459
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 40716951
N'-[2-(1-adamantyl)acetyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanehydrazide
CID 55451448
2-(1-adamantyl)-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]acetamide
CID 20660002
3-indol-1-yl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 31830439
3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 42392939
N'-[2-(1-adamantyl)acetyl]-4-(4-methylphenyl)-4-oxobutanehydrazide
CID 26854795
3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide
CID 75386486
N'-[2-(1-adamantyl)acetyl]-5-(1,3-benzothiazol-2-yl)pentanehydrazide
CID 9326327
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683785

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide (CID 18107729) is N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide is O=C(CCn1ccc2ccccc21)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide?
The InChIKey is HBRBPUSAQIPSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-21(6-8-26-7-5-19-3-1-2-4-20(19)26)24-25-22(28)15-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-5,7,16-18H,6,8-15H2,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide?
N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide has a molecular weight of 379.50 g/mol, XLogP of 3.79, 5 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]-3-indol-1-ylpropanehydrazide is sourced from PubChem (CID 18107729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).