N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

C15H15N3O5 — CID 135425010

IUPACN-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1O
InChIInChI=1S/C15H15N3O5/c1-22-13-7-10(4-5-12(13)19)8-17-18-15(21)14(20)16-9-11-3-2-6-23-11/h2-8,19H,9H2,1H3,(H,16,20)(H,18,21)/b17-8+
InChIKeyZSKYGIIYJFBODE-CAOOACKPSA-N
MW317.30 g/mol
LogP0.76
Rot. Bonds5

About N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (PubChem CID 135425010) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
PubChem CID135425010
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1O
InChIInChI=1S/C15H15N3O5/c1-22-13-7-10(4-5-12(13)19)8-17-18-15(21)14(20)16-9-11-3-2-6-23-11/h2-8,19H,9H2,1H3,(H,16,20)(H,18,21)/b17-8+
InChIKeyZSKYGIIYJFBODE-CAOOACKPSA-N
XLogP0.76
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-(2-(2-(2-Furylmethylene)hydrazino)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 9603365
N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6895803
3-{[2-(3,4-Dimethoxy-phenyl)-acetyl]-hydrazono}-N-furan-2-ylmethyl-butyramide
CID 9609413
N-[1-Furan-2-yl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-3,4-dimethoxy-benzamide
CID 9626106
3,4-dimethoxy-N-(2-{2-[(5-methyl-2-furyl)methylene]hydrazino}-2-oxoethyl)benzamide
CID 9691124
(E)-N-(2-(2-(2,4-dihydroxybenzylidene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 135550903
2-[(2E)-2-(3-chloro-4-hydroxy-5-methoxybenzylidene)hydrazinyl]-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 135628660
(E)-N-(2-(2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 135648145
N-(2-furylmethyl)-2-[2-(2-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoacetamide
CID 135501755
(E)-2-(2-((2-(2-(furan-2-carboxamido)acetyl)hydrazono)methyl)phenoxy)acetic acid
CID 6884223
N-(2-{2-[3-(2-furyl)-2-methyl-2-propenylidene]hydrazino}-2-oxoethyl)-3,4-dimethoxybenzamide
CID 9725821
N-{2-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoethyl}-2-furamide
CID 135439738

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (CID 135425010) is N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1O.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is ZSKYGIIYJFBODE-CAOOACKPSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-22-13-7-10(4-5-12(13)19)8-17-18-15(21)14(20)16-9-11-3-2-6-23-11/h2-8,19H,9H2,1H3,(H,16,20)(H,18,21)/b17-8+.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 317.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135425010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).