2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide

C20H28N4O3 — CID 17445132

IUPAC2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide
SMILESCn1cccc1C(=O)NNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N4O3/c1-24-4-2-3-16(24)19(27)23-22-18(26)12-21-17(25)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-15H,5-12H2,1H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyQMXKKEZDCHFPHU-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.51
Rot. Bonds5

About 2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide (PubChem CID 17445132) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide
PubChem CID17445132
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide
SMILESCn1cccc1C(=O)NNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N4O3/c1-24-4-2-3-16(24)19(27)23-22-18(26)12-21-17(25)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-15H,5-12H2,1H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyQMXKKEZDCHFPHU-UHFFFAOYSA-N
XLogP1.51
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.51
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

2-(1-adamantyl)-N-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 9401804
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CID 4820820
2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide
CID 35151780
2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide
CID 27689352
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
CID 55585724
N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide
CID 7917870
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 42123413
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
2-(1-adamantyl)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]acetamide
CID 55560590
2-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-N-methylacetamide
CID 38404079

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide (CID 17445132) is 2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide is Cn1cccc1C(=O)NNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide?
The InChIKey is QMXKKEZDCHFPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-24-4-2-3-16(24)19(27)23-22-18(26)12-21-17(25)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-15H,5-12H2,1H3,(H,21,25)(H,22,26)(H,23,27).
What are the key properties of 2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide is sourced from PubChem (CID 17445132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).