4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide

C15H16N2O3 — CID 6288022

IUPAC4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccc(C)o2)cc1
InChIInChI=1S/C15H16N2O3/c1-3-19-13-8-5-12(6-9-13)15(18)17-16-10-14-7-4-11(2)20-14/h4-10H,3H2,1-2H3,(H,17,18)/b16-10-
InChIKeyVMWUHANMTDPCAY-YBEGLDIGSA-N
MW272.30 g/mol
LogP2.75
Rot. Bonds5

About 4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide

4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 6288022) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID6288022
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccc(C)o2)cc1
InChIInChI=1S/C15H16N2O3/c1-3-19-13-8-5-12(6-9-13)15(18)17-16-10-14-7-4-11(2)20-14/h4-10H,3H2,1-2H3,(H,17,18)/b16-10-
InChIKeyVMWUHANMTDPCAY-YBEGLDIGSA-N
XLogP2.75
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.75
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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Related Compounds

4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4927427
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
CID 9215163
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 677340
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide (CID 6288022) is 4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide is CCOc1ccc(C(=O)N/N=C\c2ccc(C)o2)cc1.
What is the InChIKey of 4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is VMWUHANMTDPCAY-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-19-13-8-5-12(6-9-13)15(18)17-16-10-14-7-4-11(2)20-14/h4-10H,3H2,1-2H3,(H,17,18)/b16-10-.
What are the key properties of 4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide?
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 272.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6288022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).