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

C22H24N2O6 — CID 2930949

IUPACN,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H24N2O6/c25-21(23-15-5-7-17-19(13-15)29-11-9-27-17)3-1-2-4-22(26)24-16-6-8-18-20(14-16)30-12-10-28-18/h5-8,13-14H,1-4,9-12H2,(H,23,25)(H,24,26)
InChIKeyZCNSOMZZMHWFLJ-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.37
Rot. Bonds7

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

N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide (PubChem CID 2930949) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
PubChem CID2930949
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC NameN,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H24N2O6/c25-21(23-15-5-7-17-19(13-15)29-11-9-27-17)3-1-2-4-22(26)24-16-6-8-18-20(14-16)30-12-10-28-18/h5-8,13-14H,1-4,9-12H2,(H,23,25)(H,24,26)
InChIKeyZCNSOMZZMHWFLJ-UHFFFAOYSA-N
XLogP3.37
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
CID 100923504
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxybutanamide
CID 79200438
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-sulfanylidenebutanamide
CID 82122796
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 51339826
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-pyrrol-1-ylhexanamide
CID 127254983
N',N'-bis[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-hydroxyheptanediamide
CID 11203720
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;hydrochloride
CID 120558603
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
CID 109032304

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide?
The IUPAC name of N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide (CID 2930949) is N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide.
What is the SMILES notation for N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide?
The canonical SMILES for N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide is O=C(CCCCC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide?
The InChIKey is ZCNSOMZZMHWFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c25-21(23-15-5-7-17-19(13-15)29-11-9-27-17)3-1-2-4-22(26)24-16-6-8-18-20(14-16)30-12-10-28-18/h5-8,13-14H,1-4,9-12H2,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide?
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide has a molecular weight of 412.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide is sourced from PubChem (CID 2930949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).