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

C15H15N3O6 — CID 126037543

IUPACN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(C)o2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H15N3O6/c1-9-4-5-12(24-9)15(19)17-16-8-10-6-13(22-2)14(23-3)7-11(10)18(20)21/h4-8H,1-3H3,(H,17,19)/b16-8-
InChIKeyIVKSHEHACLQAIT-PXNMLYILSA-N
MW333.30 g/mol
LogP2.28
Rot. Bonds6

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

N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide (PubChem CID 126037543) has the molecular formula C15H15N3O6 and a molecular weight of 333.30 g/mol. Its IUPAC name is N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide
PubChem CID126037543
Molecular FormulaC15H15N3O6
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC NameN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(C)o2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H15N3O6/c1-9-4-5-12(24-9)15(19)17-16-8-10-6-13(22-2)14(23-3)7-11(10)18(20)21/h4-8H,1-3H3,(H,17,19)/b16-8-
InChIKeyIVKSHEHACLQAIT-PXNMLYILSA-N
XLogP2.28
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.28
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

5-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 4181071
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518521
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 6169330
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 4631028
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 126371292
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 5370784
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 3623304
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-iodobenzamide
CID 4042622
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126249967
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 1010029
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137122746
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211151

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide (CID 126037543) is N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide is COc1cc(/C=N\NC(=O)c2ccc(C)o2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide?
The InChIKey is IVKSHEHACLQAIT-PXNMLYILSA-N. The full InChI is InChI=1S/C15H15N3O6/c1-9-4-5-12(24-9)15(19)17-16-8-10-6-13(22-2)14(23-3)7-11(10)18(20)21/h4-8H,1-3H3,(H,17,19)/b16-8-.
What are the key properties of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide?
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide has a molecular weight of 333.30 g/mol, XLogP of 2.28, 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]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 126037543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).