(2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide

C16H18N4O3 — CID 135599756

IUPAC(2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide
SMILESCCOc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccco2)cc1
InChIInChI=1S/C16H18N4O3/c1-3-22-14-8-6-13(7-9-14)18-16(20-21)12(2)19-17-11-15-5-4-10-23-15/h4-11,21H,3H2,1-2H3,(H,18,20)/b17-11+,19-12+
InChIKeyBUDQLTPOBANAAW-UCXDMDGBSA-N
MW314.35 g/mol
LogP3.18
Rot. Bonds6

About (2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide

(2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide (PubChem CID 135599756) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is (2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide.

Molecular Properties

Compound Name(2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide
PubChem CID135599756
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name(2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide
SMILESCCOc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccco2)cc1
InChIInChI=1S/C16H18N4O3/c1-3-22-14-8-6-13(7-9-14)18-16(20-21)12(2)19-17-11-15-5-4-10-23-15/h4-11,21H,3H2,1-2H3,(H,18,20)/b17-11+,19-12+
InChIKeyBUDQLTPOBANAAW-UCXDMDGBSA-N
XLogP3.18
TPSA91.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(Furfurylidene)-P-anisidine
CID 778756
1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide
CID 11183543
4-((1E)-2-(2-furyl)-1-azavinyl)phenol
CID 674723
1-(furan-2-yl)-N-phenylmethanimine oxide
CID 1585019
1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide
CID 42628304
N-[(Z)-furan-2-ylmethylidene]-N-phenylamine oxide
CID 717510
Propanimidamide, 2-((2-furanylmethylene)hydrazono)-N-hydroxy-N'-(4-methylphenyl)-
CID 135599754
Propanimidamide, 2-((2-furanylmethylene)hydrazono)-N-hydroxy-N'-(4-methoxyphenyl)-
CID 135599755
Propanimidamide, N-(4-(bis(2-chloroethyl)amino)phenyl)-2-((2-furanylmethylene)hydrazono)-N'-hydroxy-
CID 135599757
Propanimidamide, N-hydroxy-N'-(4-methoxyphenyl)-2-(((5-nitro-2-furanyl)methylene)hydrazono)-
CID 135599762
Propanimidamide, N-(4-ethoxyphenyl)-N'-hydroxy-2-(((5-nitro-2-furanyl)methylene)hydrazono)-
CID 135599763
4-methoxy-N-[(E)-(5-methylfuran-2-yl)methylidene]aniline
CID 681311

Frequently Asked Questions

What is the IUPAC name of (2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide?
The IUPAC name of (2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide (CID 135599756) is (2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide.
What is the SMILES notation for (2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide?
The canonical SMILES for (2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide is CCOc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccco2)cc1.
What is the InChIKey of (2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide?
The InChIKey is BUDQLTPOBANAAW-UCXDMDGBSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-3-22-14-8-6-13(7-9-14)18-16(20-21)12(2)19-17-11-15-5-4-10-23-15/h4-11,21H,3H2,1-2H3,(H,18,20)/b17-11+,19-12+.
What are the key properties of (2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide?
(2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide has a molecular weight of 314.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N'-(4-ethoxyphenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-N-hydroxypropanimidamide is sourced from PubChem (CID 135599756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).