2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide

C17H27N3O3 — CID 7758754

IUPAC2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27N3O3/c1-16(2,3)18-13(21)14(22)19-20-15(23)17-7-10-4-11(8-17)6-12(5-10)9-17/h10-12H,4-9H2,1-3H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyIPZMKDNWCNAEKB-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.26
Rot. Bonds1

About 2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide

2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide (PubChem CID 7758754) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide
PubChem CID7758754
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27N3O3/c1-16(2,3)18-13(21)14(22)19-20-15(23)17-7-10-4-11(8-17)6-12(5-10)9-17/h10-12H,4-9H2,1-3H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyIPZMKDNWCNAEKB-UHFFFAOYSA-N
XLogP1.26
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.26
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]-N-tert-butyl-2-oxoacetamide?
The IUPAC name of 2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide (CID 7758754) is 2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide.
What is the SMILES notation for 2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide?
The canonical SMILES for 2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide is CC(C)(C)NC(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide?
The InChIKey is IPZMKDNWCNAEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-16(2,3)18-13(21)14(22)19-20-15(23)17-7-10-4-11(8-17)6-12(5-10)9-17/h10-12H,4-9H2,1-3H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of 2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide?
2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide has a molecular weight of 321.42 g/mol, XLogP of 1.26, 1 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]-N-tert-butyl-2-oxoacetamide is sourced from PubChem (CID 7758754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).