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

C18H22N2O3 — CID 18273469

IUPACN-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCCCCCCOc1ccc(/C=N/NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H22N2O3/c1-2-3-4-5-12-22-16-10-8-15(9-11-16)14-19-20-18(21)17-7-6-13-23-17/h6-11,13-14H,2-5,12H2,1H3,(H,20,21)/b19-14+
InChIKeyBIFBAYLHRNOVHE-XMHGGMMESA-N
MW314.39 g/mol
LogP4.00
Rot. Bonds9

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

N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 18273469) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID18273469
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCCCCCCOc1ccc(/C=N/NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H22N2O3/c1-2-3-4-5-12-22-16-10-8-15(9-11-16)14-19-20-18(21)17-7-6-13-23-17/h6-11,13-14H,2-5,12H2,1H3,(H,20,21)/b19-14+
InChIKeyBIFBAYLHRNOVHE-XMHGGMMESA-N
XLogP4.00
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide
CID 9175443
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6880344
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
CID 4930486
2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
CID 7782249
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7032630
N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
CID 94833180

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide (CID 18273469) is N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide is CCCCCCOc1ccc(/C=N/NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is BIFBAYLHRNOVHE-XMHGGMMESA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-3-4-5-12-22-16-10-8-15(9-11-16)14-19-20-18(21)17-7-6-13-23-17/h6-11,13-14H,2-5,12H2,1H3,(H,20,21)/b19-14+.
What are the key properties of N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide?
N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 18273469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).