N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide

C24H28N4O3 — CID 4807831

IUPACN-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C24H28N4O3/c29-21(15-25-23(31)24-12-16-9-17(13-24)11-18(10-16)14-24)26-27-22(30)19-5-1-2-6-20(19)28-7-3-4-8-28/h1-8,16-18H,9-15H2,(H,25,31)(H,26,29)(H,27,30)
InChIKeyBBADHLHWUFFIJB-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.57
Rot. Bonds5

About N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide

N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide (PubChem CID 4807831) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide
PubChem CID4807831
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C24H28N4O3/c29-21(15-25-23(31)24-12-16-9-17(13-24)11-18(10-16)14-24)26-27-22(30)19-5-1-2-6-20(19)28-7-3-4-8-28/h1-8,16-18H,9-15H2,(H,25,31)(H,26,29)(H,27,30)
InChIKeyBBADHLHWUFFIJB-UHFFFAOYSA-N
XLogP2.57
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide
CID 7677873
N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 34573326
N-[2-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 39048961
N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide
CID 46798897
N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide
CID 27673727
N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7978653
2-(1-adamantyl)-N-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 9401804
N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 46799227
4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 166394212
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] adamantane-1-carboxylate
CID 7514436
N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314043
N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567008

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide (CID 4807831) is N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide is O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccccc1-n1cccc1.
What is the InChIKey of N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide?
The InChIKey is BBADHLHWUFFIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-21(15-25-23(31)24-12-16-9-17(13-24)11-18(10-16)14-24)26-27-22(30)19-5-1-2-6-20(19)28-7-3-4-8-28/h1-8,16-18H,9-15H2,(H,25,31)(H,26,29)(H,27,30).
What are the key properties of N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide?
N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 4807831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).