N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide

C19H16N2O3 — CID 6880344

IUPACN-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccco1
InChIInChI=1S/C19H16N2O3/c22-19(18-7-4-12-23-18)21-20-13-15-8-10-17(11-9-15)24-14-16-5-2-1-3-6-16/h1-13H,14H2,(H,21,22)/b20-13+
InChIKeyZZYQBUPVDMALPU-DEDYPNTBSA-N
MW320.35 g/mol
LogP3.62
Rot. Bonds6

About N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide

N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 6880344) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID6880344
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccco1
InChIInChI=1S/C19H16N2O3/c22-19(18-7-4-12-23-18)21-20-13-15-8-10-17(11-9-15)24-14-16-5-2-1-3-6-16/h1-13H,14H2,(H,21,22)/b20-13+
InChIKeyZZYQBUPVDMALPU-DEDYPNTBSA-N
XLogP3.62
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.62
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-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
CID 2336578
N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide
CID 9175443
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide
CID 18273469
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1389238
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide (CID 6880344) is N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccco1.
What is the InChIKey of N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is ZZYQBUPVDMALPU-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-19(18-7-4-12-23-18)21-20-13-15-8-10-17(11-9-15)24-14-16-5-2-1-3-6-16/h1-13H,14H2,(H,21,22)/b20-13+.
What are the key properties of N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide?
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6880344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).