N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide

C20H18N2O4 — CID 5430494

IUPACN-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccccc1OCc1ccc(C(=O)N/N=C\c2ccco2)cc1
InChIInChI=1S/C20H18N2O4/c1-24-18-6-2-3-7-19(18)26-14-15-8-10-16(11-9-15)20(23)22-21-13-17-5-4-12-25-17/h2-13H,14H2,1H3,(H,22,23)/b21-13-
InChIKeyUTZLHNIXQYJGDE-BKUYFWCQSA-N
MW350.37 g/mol
LogP3.63
Rot. Bonds7

About N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide

N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide (PubChem CID 5430494) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide
PubChem CID5430494
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccccc1OCc1ccc(C(=O)N/N=C\c2ccco2)cc1
InChIInChI=1S/C20H18N2O4/c1-24-18-6-2-3-7-19(18)26-14-15-8-10-16(11-9-15)20(23)22-21-13-17-5-4-12-25-17/h2-13H,14H2,1H3,(H,22,23)/b21-13-
InChIKeyUTZLHNIXQYJGDE-BKUYFWCQSA-N
XLogP3.63
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide?
The IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide (CID 5430494) is N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide is COc1ccccc1OCc1ccc(C(=O)N/N=C\c2ccco2)cc1.
What is the InChIKey of N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide?
The InChIKey is UTZLHNIXQYJGDE-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-24-18-6-2-3-7-19(18)26-14-15-8-10-16(11-9-15)20(23)22-21-13-17-5-4-12-25-17/h2-13H,14H2,1H3,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide?
N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide has a molecular weight of 350.37 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 5430494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).