N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C16H17N3O5 — CID 7719992

IUPACN-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C16H17N3O5/c1-22-12-5-6-13(23-2)11(8-12)9-18-19-15(20)10-17-16(21)14-4-3-7-24-14/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-9-
InChIKeyFDRXXAVDMFNDMZ-NVMNQCDNSA-N
MW331.33 g/mol
LogP1.18
Rot. Bonds7

About N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 7719992) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID7719992
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C16H17N3O5/c1-22-12-5-6-13(23-2)11(8-12)9-18-19-15(20)10-17-16(21)14-4-3-7-24-14/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-9-
InChIKeyFDRXXAVDMFNDMZ-NVMNQCDNSA-N
XLogP1.18
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 6110543
[4-[[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 4660927
N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-triethoxybenzamide
CID 6258702
N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6260724
N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7032630
N-[2-[2-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 3098535
N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 135684775
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 6277132
2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6300942
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 760358
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3455100

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 7719992) is N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is COc1ccc(OC)c(/C=N\NC(=O)CNC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is FDRXXAVDMFNDMZ-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-22-12-5-6-13(23-2)11(8-12)9-18-19-15(20)10-17-16(21)14-4-3-7-24-14/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-9-.
What are the key properties of N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 7719992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).