N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

C16H18N2O4 — CID 5336453

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C16H18N2O4/c1-10-7-13(11(2)22-10)16(19)18-17-9-12-5-6-14(20-3)15(8-12)21-4/h5-9H,1-4H3,(H,18,19)/b17-9+
InChIKeyZUHSAROFRQDYNB-RQZCQDPDSA-N
MW302.33 g/mol
LogP2.68
Rot. Bonds5

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 5336453) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID5336453
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C16H18N2O4/c1-10-7-13(11(2)22-10)16(19)18-17-9-12-5-6-14(20-3)15(8-12)21-4/h5-9H,1-4H3,(H,18,19)/b17-9+
InChIKeyZUHSAROFRQDYNB-RQZCQDPDSA-N
XLogP2.68
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 5336453) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is COc1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ZUHSAROFRQDYNB-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-7-13(11(2)22-10)16(19)18-17-9-12-5-6-14(20-3)15(8-12)21-4/h5-9H,1-4H3,(H,18,19)/b17-9+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 5336453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).