N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide

C24H26N4O6 — CID 3401753

IUPACN,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide
SMILESO=C(CCCCC(=O)NN=Cc1ccc2c(c1)OCCO2)NN=Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H26N4O6/c29-23(27-25-15-17-5-7-19-21(13-17)33-11-9-31-19)3-1-2-4-24(30)28-26-16-18-6-8-20-22(14-18)34-12-10-32-20/h5-8,13-16H,1-4,9-12H2,(H,27,29)(H,28,30)
InChIKeyUYFOTUWOVBCFGV-UHFFFAOYSA-N
MW466.49 g/mol
LogP2.39
Rot. Bonds9

About N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide

N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide (PubChem CID 3401753) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide
PubChem CID3401753
Molecular FormulaC24H26N4O6
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC NameN,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide
SMILESO=C(CCCCC(=O)NN=Cc1ccc2c(c1)OCCO2)NN=Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H26N4O6/c29-23(27-25-15-17-5-7-19-21(13-17)33-11-9-31-19)3-1-2-4-24(30)28-26-16-18-6-8-20-22(14-18)34-12-10-32-20/h5-8,13-16H,1-4,9-12H2,(H,27,29)(H,28,30)
InChIKeyUYFOTUWOVBCFGV-UHFFFAOYSA-N
XLogP2.39
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,N'-bis[(E)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethylideneamino]hexanediamide
CID 14149970
N,N'-bis[(E)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethylideneamino]butanediamide
CID 14149968
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-hydroxyacetamide
CID 4174508
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]octanamide
CID 6890470
N-(1,3-benzodioxol-5-ylmethylideneamino)octadecanamide
CID 3845709
2-anilino-N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
CID 6904248
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride
CID 146022648
N-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-hydroxyphenyl)butanamide
CID 4239183
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
CID 6909474
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 2592818
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-piperidin-1-ylpropanamide
CID 6900602
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6266560

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide?
The IUPAC name of N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide (CID 3401753) is N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide.
What is the SMILES notation for N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide?
The canonical SMILES for N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide is O=C(CCCCC(=O)NN=Cc1ccc2c(c1)OCCO2)NN=Cc1ccc2c(c1)OCCO2.
What is the InChIKey of N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide?
The InChIKey is UYFOTUWOVBCFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6/c29-23(27-25-15-17-5-7-19-21(13-17)33-11-9-31-19)3-1-2-4-24(30)28-26-16-18-6-8-20-22(14-18)34-12-10-32-20/h5-8,13-16H,1-4,9-12H2,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide?
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide has a molecular weight of 466.49 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)hexanediamide is sourced from PubChem (CID 3401753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).