4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C18H20N4O5 — CID 6382765

IUPAC4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C18H20N4O5/c1-18(2,3)13-6-4-12(5-7-13)17(24)19-11-15(23)21-20-10-14-8-9-16(27-14)22(25)26/h4-10H,11H2,1-3H3,(H,19,24)(H,21,23)/b20-10-
InChIKeyQZJDWTPRJLHULL-JMIUGGIZSA-N
MW372.38 g/mol
LogP2.37
Rot. Bonds6

About 4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 6382765) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID6382765
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C18H20N4O5/c1-18(2,3)13-6-4-12(5-7-13)17(24)19-11-15(23)21-20-10-14-8-9-16(27-14)22(25)26/h4-10H,11H2,1-3H3,(H,19,24)(H,21,23)/b20-10-
InChIKeyQZJDWTPRJLHULL-JMIUGGIZSA-N
XLogP2.37
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438
2-(4-tert-butylphenoxy)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 833741
N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
CID 3417730
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775
4-butoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 90675804
tert-butyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6036448
4-methoxy-N-[2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 7985051
N-[2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-tert-butylbenzamide
CID 3988496
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide
CID 913455

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 6382765) is 4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is QZJDWTPRJLHULL-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-18(2,3)13-6-4-12(5-7-13)17(24)19-11-15(23)21-20-10-14-8-9-16(27-14)22(25)26/h4-10H,11H2,1-3H3,(H,19,24)(H,21,23)/b20-10-.
What are the key properties of 4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 372.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 6382765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).