N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide

C11H11N3O4 — CID 6085946

IUPACN'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(N)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H11N3O4/c1-6(13-14-11(16)10(12)15)7-2-3-8-9(4-7)18-5-17-8/h2-4H,5H2,1H3,(H2,12,15)(H,14,16)/b13-6-
InChIKeyFBKZGKFILFNRGP-MLPAPPSSSA-N
MW249.23 g/mol
LogP-0.26
Rot. Bonds2

About N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide

N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide (PubChem CID 6085946) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide
PubChem CID6085946
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC NameN'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(N)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H11N3O4/c1-6(13-14-11(16)10(12)15)7-2-3-8-9(4-7)18-5-17-8/h2-4H,5H2,1H3,(H2,12,15)(H,14,16)/b13-6-
InChIKeyFBKZGKFILFNRGP-MLPAPPSSSA-N
XLogP-0.26
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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'-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]oxamide
CID 9120866
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide
CID 5416358
N,N'-bis[1-(1,3-benzodioxol-5-yl)ethylideneamino]heptanediamide
CID 4198413
N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-4-carboxamide
CID 6941497
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propan-2-ylbenzamide
CID 3616395
N-[1-(3-hydroxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 4103586
N-[(Z)-1-pyridin-4-ylethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5408947
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6255410
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-ethoxybenzamide
CID 3420877
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide
CID 6261518
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 6028855
N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135765562

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide?
The IUPAC name of N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide (CID 6085946) is N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide.
What is the SMILES notation for N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide?
The canonical SMILES for N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide is C/C(=N/NC(=O)C(N)=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide?
The InChIKey is FBKZGKFILFNRGP-MLPAPPSSSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-6(13-14-11(16)10(12)15)7-2-3-8-9(4-7)18-5-17-8/h2-4H,5H2,1H3,(H2,12,15)(H,14,16)/b13-6-.
What are the key properties of N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide?
N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide has a molecular weight of 249.23 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide is sourced from PubChem (CID 6085946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).