N-(tert-butyl)-3-(2-furoylhydrazono)butanamide

C13H19N3O3 — CID 5822222

IUPACN-[(E)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)C1=CC=CO1)/CC(=O)NC(C)(C)C
InChIInChI=1S/C13H19N3O3/c1-9(8-11(17)14-13(2,3)4)15-16-12(18)10-6-5-7-19-10/h5-7H,8H2,1-4H3,(H,14,17)(H,16,18)/b15-9+
InChIKeyATSNEEHTRYMNGX-OQLLNIDSSA-N
MW265.31 g/mol
LogP1.20
Rot. Bonds5

About N-(tert-butyl)-3-(2-furoylhydrazono)butanamide

N-(tert-butyl)-3-(2-furoylhydrazono)butanamide (PubChem CID 5822222) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(E)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide.

Molecular Properties

Compound NameN-(tert-butyl)-3-(2-furoylhydrazono)butanamide
PubChem CID5822222
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(E)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)C1=CC=CO1)/CC(=O)NC(C)(C)C
InChIInChI=1S/C13H19N3O3/c1-9(8-11(17)14-13(2,3)4)15-16-12(18)10-6-5-7-19-10/h5-7H,8H2,1-4H3,(H,14,17)(H,16,18)/b15-9+
InChIKeyATSNEEHTRYMNGX-OQLLNIDSSA-N
XLogP1.20
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity372

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-4-(aminocarbonylamino)-N-(2-furylmethyl)-3-methyl-4-azabut-3-enamide
CID 5853280
N'-(1-ethyl-4-piperidinylidene)-2-furohydrazide
CID 840590
N'-(1-methyl-4-piperidinylidene)-2-furohydrazide
CID 868151
N-(2-cyanopropan-2-yl)furan-2-carboxamide
CID 565206
N'-(4-tert-butylcyclohexylidene)-2-furohydrazide
CID 831804
N-Tert-butyl-2-(furan-2-ylformohydrazido)-2-oxoacetamide
CID 3108523
N'-bicyclo[3.2.0]hept-2-en-6-ylidene-2-furohydrazide
CID 9645018
N''-butylfuran-2-carbohydrazide
CID 142329688
N'-acetylfuran-2-carbohydrazide
CID 463776
2-Furancarboxylic acid, 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazide
CID 54147
(3E)-N-(furan-2-ylmethyl)-3-[2-(methoxyacetyl)hydrazinylidene]butanamide
CID 6248555
N-(furan-2-ylmethyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 660122

Frequently Asked Questions

What is the IUPAC name of N-(tert-butyl)-3-(2-furoylhydrazono)butanamide?
The IUPAC name of N-(tert-butyl)-3-(2-furoylhydrazono)butanamide (CID 5822222) is N-[(E)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide.
What is the SMILES notation for N-(tert-butyl)-3-(2-furoylhydrazono)butanamide?
The canonical SMILES for N-(tert-butyl)-3-(2-furoylhydrazono)butanamide is C/C(=N\NC(=O)C1=CC=CO1)/CC(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butyl)-3-(2-furoylhydrazono)butanamide?
The InChIKey is ATSNEEHTRYMNGX-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(8-11(17)14-13(2,3)4)15-16-12(18)10-6-5-7-19-10/h5-7H,8H2,1-4H3,(H,14,17)(H,16,18)/b15-9+.
What are the key properties of N-(tert-butyl)-3-(2-furoylhydrazono)butanamide?
N-(tert-butyl)-3-(2-furoylhydrazono)butanamide has a molecular weight of 265.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butyl)-3-(2-furoylhydrazono)butanamide is sourced from PubChem (CID 5822222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).