N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

C16H17N3O6 — CID 8518521

IUPACN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2cc(C)oc2C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C16H17N3O6/c1-9-5-12(10(2)25-9)16(20)18-17-8-11-6-14(23-3)15(24-4)7-13(11)19(21)22/h5-8H,1-4H3,(H,18,20)/b17-8-
InChIKeyJZZSPQZPEANOQK-IUXPMGMMSA-N
MW347.33 g/mol
LogP2.59
Rot. Bonds6

About N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 8518521) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID8518521
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC NameN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2cc(C)oc2C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C16H17N3O6/c1-9-5-12(10(2)25-9)16(20)18-17-8-11-6-14(23-3)15(24-4)7-13(11)19(21)22/h5-8H,1-4H3,(H,18,20)/b17-8-
InChIKeyJZZSPQZPEANOQK-IUXPMGMMSA-N
XLogP2.59
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 126037543
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 5370784
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 4631028
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 6169330
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135716129
N-[(2,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760422
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 3623304
N-[(2,3-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760406
2-methoxy-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 6042961
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135745467
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-iodobenzamide
CID 4042622
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 1010029

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 8518521) is N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is COc1cc(/C=N\NC(=O)c2cc(C)oc2C)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is JZZSPQZPEANOQK-IUXPMGMMSA-N. The full InChI is InChI=1S/C16H17N3O6/c1-9-5-12(10(2)25-9)16(20)18-17-8-11-6-14(23-3)15(24-4)7-13(11)19(21)22/h5-8H,1-4H3,(H,18,20)/b17-8-.
What are the key properties of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 8518521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).