N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide

C14H14N2O3 — CID 6878674

IUPACN-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccoc2C)c1
InChIInChI=1S/C14H14N2O3/c1-10-13(6-7-19-10)14(17)16-15-9-11-4-3-5-12(8-11)18-2/h3-9H,1-2H3,(H,16,17)/b15-9+
InChIKeyIBGKHWDQUUAZCD-OQLLNIDSSA-N
MW258.28 g/mol
LogP2.36
Rot. Bonds4

About N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide

N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 6878674) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID6878674
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccoc2C)c1
InChIInChI=1S/C14H14N2O3/c1-10-13(6-7-19-10)14(17)16-15-9-11-4-3-5-12(8-11)18-2/h3-9H,1-2H3,(H,16,17)/b15-9+
InChIKeyIBGKHWDQUUAZCD-OQLLNIDSSA-N
XLogP2.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide (CID 6878674) is N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide is COc1cccc(/C=N/NC(=O)c2ccoc2C)c1.
What is the InChIKey of N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is IBGKHWDQUUAZCD-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10-13(6-7-19-10)14(17)16-15-9-11-4-3-5-12(8-11)18-2/h3-9H,1-2H3,(H,16,17)/b15-9+.
What are the key properties of N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6878674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).