N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide

C14H14N2O4 — CID 7231244

IUPACN-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccco2)cc(OC)c1
InChIInChI=1S/C14H14N2O4/c1-18-11-6-10(7-12(8-11)19-2)9-15-16-14(17)13-4-3-5-20-13/h3-9H,1-2H3,(H,16,17)/b15-9-
InChIKeyXVCKPHVJFNTQPP-DHDCSXOGSA-N
MW274.28 g/mol
LogP2.06
Rot. Bonds5

About N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide

N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 7231244) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID7231244
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccco2)cc(OC)c1
InChIInChI=1S/C14H14N2O4/c1-18-11-6-10(7-12(8-11)19-2)9-15-16-14(17)13-4-3-5-20-13/h3-9H,1-2H3,(H,16,17)/b15-9-
InChIKeyXVCKPHVJFNTQPP-DHDCSXOGSA-N
XLogP2.06
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135642156
N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1102193
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6885887
N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
CID 94833180
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide
CID 9175443
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 137035489
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1389238
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
CID 5401936
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
CID 7406194
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 2641916

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide (CID 7231244) is N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide is COc1cc(/C=N\NC(=O)c2ccco2)cc(OC)c1.
What is the InChIKey of N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is XVCKPHVJFNTQPP-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-18-11-6-10(7-12(8-11)19-2)9-15-16-14(17)13-4-3-5-20-13/h3-9H,1-2H3,(H,16,17)/b15-9-.
What are the key properties of N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide?
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 7231244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).