N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide

C26H22N2O3 — CID 3309207

IUPACN-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
SMILESCC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccco1
InChIInChI=1S/C26H22N2O3/c1-19(24-12-7-17-30-24)27-28-26(29)22-15-13-20(14-16-22)18-31-25-11-6-5-10-23(25)21-8-3-2-4-9-21/h2-17H,18H2,1H3,(H,28,29)
InChIKeyXGQKQRONBAEJEC-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.68
Rot. Bonds7

About N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide

N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide (PubChem CID 3309207) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
PubChem CID3309207
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
SMILESCC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccco1
InChIInChI=1S/C26H22N2O3/c1-19(24-12-7-17-30-24)27-28-26(29)22-15-13-20(14-16-22)18-31-25-11-6-5-10-23(25)21-8-3-2-4-9-21/h2-17H,18H2,1H3,(H,28,29)
InChIKeyXGQKQRONBAEJEC-UHFFFAOYSA-N
XLogP5.68
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.68
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

N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3428420
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3944391
1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea
CID 8626379
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928992
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 135607593
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135609476
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6904277

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide (CID 3309207) is N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The canonical SMILES for N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The InChIKey is XGQKQRONBAEJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-19(24-12-7-17-30-24)27-28-26(29)22-15-13-20(14-16-22)18-31-25-11-6-5-10-23(25)21-8-3-2-4-9-21/h2-17H,18H2,1H3,(H,28,29).
What are the key properties of N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide has a molecular weight of 410.47 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is sourced from PubChem (CID 3309207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).