2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide

C16H25N3O3 — CID 2869210

IUPAC2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25N3O3/c1-9(2)17-13(20)14(21)18-19-15(22)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,3-8H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyNXGCDOOPOMZLGO-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.87
Rot. Bonds2

About 2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide

2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 2869210) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide
PubChem CID2869210
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25N3O3/c1-9(2)17-13(20)14(21)18-19-15(22)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,3-8H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyNXGCDOOPOMZLGO-UHFFFAOYSA-N
XLogP0.87
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide (CID 2869210) is 2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is NXGCDOOPOMZLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-9(2)17-13(20)14(21)18-19-15(22)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,3-8H2,1-2H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of 2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 307.39 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 2869210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).