(2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide

C18H23NO3 — CID 142736383

IUPAC(2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H23NO3/c1-2-3-4-5-6-7-8-9-18(20)19-15-10-11-16-17(14-15)22-13-12-21-16/h6-11,14H,2-5,12-13H2,1H3,(H,19,20)/b7-6+,9-8+
InChIKeyOLKSBWBDPSLRQG-BLHCBFLLSA-N
MW301.39 g/mol
LogP4.09
Rot. Bonds7

About (2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide

(2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide (PubChem CID 142736383) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide
PubChem CID142736383
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H23NO3/c1-2-3-4-5-6-7-8-9-18(20)19-15-10-11-16-17(14-15)22-13-12-21-16/h6-11,14H,2-5,12-13H2,1H3,(H,19,20)/b7-6+,9-8+
InChIKeyOLKSBWBDPSLRQG-BLHCBFLLSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 72806568
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
CID 100923504
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43236461
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-enamide
CID 78906680
N-butyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 3220602
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
CID 109032304
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
2-butylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 31848144
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-enamide
CID 732540

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide (CID 142736383) is (2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide is CCCCC/C=C/C=C/C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of (2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide?
The InChIKey is OLKSBWBDPSLRQG-BLHCBFLLSA-N. The full InChI is InChI=1S/C18H23NO3/c1-2-3-4-5-6-7-8-9-18(20)19-15-10-11-16-17(14-15)22-13-12-21-16/h6-11,14H,2-5,12-13H2,1H3,(H,19,20)/b7-6+,9-8+.
What are the key properties of (2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide?
(2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide has a molecular weight of 301.39 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide is sourced from PubChem (CID 142736383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).