4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide

C16H18N2O3 — CID 3656124

IUPAC4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
SMILESCCOc1ccc(C(=O)NN=C(C)c2ccc(C)o2)cc1
InChIInChI=1S/C16H18N2O3/c1-4-20-14-8-6-13(7-9-14)16(19)18-17-12(3)15-10-5-11(2)21-15/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyQPESDTHPJJXAJZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.14
Rot. Bonds5

About 4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide

4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide (PubChem CID 3656124) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
PubChem CID3656124
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
SMILESCCOc1ccc(C(=O)NN=C(C)c2ccc(C)o2)cc1
InChIInChI=1S/C16H18N2O3/c1-4-20-14-8-6-13(7-9-14)16(19)18-17-12(3)15-10-5-11(2)21-15/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyQPESDTHPJJXAJZ-UHFFFAOYSA-N
XLogP3.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.14
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-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 5401165
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 6156574
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4315276
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-ethoxybenzamide
CID 3420877
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide (CID 3656124) is 4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide is CCOc1ccc(C(=O)NN=C(C)c2ccc(C)o2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide?
The InChIKey is QPESDTHPJJXAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-20-14-8-6-13(7-9-14)16(19)18-17-12(3)15-10-5-11(2)21-15/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of 4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide?
4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide has a molecular weight of 286.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 3656124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).