N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C16H15N3O5 — CID 6895803

IUPACN-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccco1
InChIInChI=1S/C16H15N3O5/c20-15(19-18-9-12-2-1-5-22-12)10-17-16(21)11-3-4-13-14(8-11)24-7-6-23-13/h1-5,8-9H,6-7,10H2,(H,17,21)(H,19,20)/b18-9+
InChIKeyVBEXNLFHSMXNBL-GIJQJNRQSA-N
MW329.31 g/mol
LogP0.93
Rot. Bonds5

About N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 6895803) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID6895803
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccco1
InChIInChI=1S/C16H15N3O5/c20-15(19-18-9-12-2-1-5-22-12)10-17-16(21)11-3-4-13-14(8-11)24-7-6-23-13/h1-5,8-9H,6-7,10H2,(H,17,21)(H,19,20)/b18-9+
InChIKeyVBEXNLFHSMXNBL-GIJQJNRQSA-N
XLogP0.93
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 50.93
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-(2-(2-Furylmethylene)hydrazino)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 9603365
N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2970991
N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide
CID 4787471
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-[1-(5-nitro-furan-2-yl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-benzamide
CID 9664357
3,4-dimethoxy-N-(2-{2-[(5-methyl-2-furyl)methylene]hydrazino}-2-oxoethyl)benzamide
CID 9691124
N-[2-[2-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135521543
2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [1-methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-amide
CID 9609192
3,4-Dimethoxy-N-(2-oxo-2-(2-(3-phenyl-2-propenylidene)hydrazino)ethyl)benzamide
CID 9621499
Hippuric (furfurylidene)hydrazide
CID 9555014
N-({N'-[(E)-[4-(Dimethylamino)phenyl]methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5333620

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 6895803) is N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccco1.
What is the InChIKey of N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is VBEXNLFHSMXNBL-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H15N3O5/c20-15(19-18-9-12-2-1-5-22-12)10-17-16(21)11-3-4-13-14(8-11)24-7-6-23-13/h1-5,8-9H,6-7,10H2,(H,17,21)(H,19,20)/b18-9+.
What are the key properties of N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 6895803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).