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

C11H15N3O4 — CID 3108523

IUPACN-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)NNC(=O)c1ccco1
InChIInChI=1S/C11H15N3O4/c1-11(2,3)12-9(16)10(17)14-13-8(15)7-5-4-6-18-7/h4-6H,1-3H3,(H,12,16)(H,13,15)(H,14,17)
InChIKeyNPOBLNYPVQSYOS-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.04
Rot. Bonds1

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

N-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide (PubChem CID 3108523) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide
PubChem CID3108523
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide
SMILESCC(C)(C)NC(=O)C(=O)NNC(=O)c1ccco1
InChIInChI=1S/C11H15N3O4/c1-11(2,3)12-9(16)10(17)14-13-8(15)7-5-4-6-18-7/h4-6H,1-3H3,(H,12,16)(H,13,15)(H,14,17)
InChIKeyNPOBLNYPVQSYOS-UHFFFAOYSA-N
XLogP-0.04
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide (CID 3108523) is N-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide is CC(C)(C)NC(=O)C(=O)NNC(=O)c1ccco1.
What is the InChIKey of N-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is NPOBLNYPVQSYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(2,3)12-9(16)10(17)14-13-8(15)7-5-4-6-18-7/h4-6H,1-3H3,(H,12,16)(H,13,15)(H,14,17).
What are the key properties of N-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide?
N-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 253.26 g/mol, XLogP of -0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 3108523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).