N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C15H15N3O5 — CID 135648145

IUPACN-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)c2ccco2)c1O
InChIInChI=1S/C15H15N3O5/c1-22-11-5-2-4-10(14(11)20)8-17-18-13(19)9-16-15(21)12-6-3-7-23-12/h2-8,20H,9H2,1H3,(H,16,21)(H,18,19)/b17-8+
InChIKeyDAAAIESCTLINQL-CAOOACKPSA-N
MW317.30 g/mol
LogP0.87
Rot. Bonds6

About N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 135648145) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID135648145
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)c2ccco2)c1O
InChIInChI=1S/C15H15N3O5/c1-22-11-5-2-4-10(14(11)20)8-17-18-13(19)9-16-15(21)12-6-3-7-23-12/h2-8,20H,9H2,1H3,(H,16,21)(H,18,19)/b17-8+
InChIKeyDAAAIESCTLINQL-CAOOACKPSA-N
XLogP0.87
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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
(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
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
Furan-2-carboxylic acid [2-(2,3-dimethoxy-benzylamino)-ethyl]-amide
CID 11948892
N-(2-furylmethyl)-2-[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoacetamide
CID 135425010
N-{2-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazinyl]-2-oxoethyl}furan-2-carboxamide (non-preferred name)
CID 135479574
2-[5-(3,4-dimethoxyphenyl)-1-(furan-2-carbonyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135558327
4-[(E)-({2-[(Furan-2-YL)formamido]acetamido}imino)methyl]benzoic acid
CID 9595597
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-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 135648145) is N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is COc1cccc(/C=N/NC(=O)CNC(=O)c2ccco2)c1O.
What is the InChIKey of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is DAAAIESCTLINQL-CAOOACKPSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-22-11-5-2-4-10(14(11)20)8-17-18-13(19)9-16-15(21)12-6-3-7-23-12/h2-8,20H,9H2,1H3,(H,16,21)(H,18,19)/b17-8+.
What are the key properties of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 135648145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).