2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide

C18H28N2O3 — CID 4621616

IUPAC2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide
SMILESCCCCC(C(=O)Nc1ccc2c(c1)OCCO2)N(CC)CC
InChIInChI=1S/C18H28N2O3/c1-4-7-8-15(20(5-2)6-3)18(21)19-14-9-10-16-17(13-14)23-12-11-22-16/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,19,21)
InChIKeyJFCLXLNFRVUEQW-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.30
Rot. Bonds8

About 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide

2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide (PubChem CID 4621616) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide
PubChem CID4621616
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide
SMILESCCCCC(C(=O)Nc1ccc2c(c1)OCCO2)N(CC)CC
InChIInChI=1S/C18H28N2O3/c1-4-7-8-15(20(5-2)6-3)18(21)19-14-9-10-16-17(13-14)23-12-11-22-16/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,19,21)
InChIKeyJFCLXLNFRVUEQW-UHFFFAOYSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide
CID 7311214
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopentan-2-yl]-diethylazanium
CID 7311213
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopentan-2-yl]-diethylazanium chloride
CID 21228730
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
[1-(1,3-benzodioxol-5-ylamino)-1-oxohexan-2-yl]-methylazanium
CID 4582758
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;hydrochloride
CID 119261511
N-butyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 3220602
2-butylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 31848144
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43236461
N-heptan-3-yl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63945872
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119669230
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide?
The IUPAC name of 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide (CID 4621616) is 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide.
What is the SMILES notation for 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide?
The canonical SMILES for 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide is CCCCC(C(=O)Nc1ccc2c(c1)OCCO2)N(CC)CC.
What is the InChIKey of 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide?
The InChIKey is JFCLXLNFRVUEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-7-8-15(20(5-2)6-3)18(21)19-14-9-10-16-17(13-14)23-12-11-22-16/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,19,21).
What are the key properties of 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide?
2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide has a molecular weight of 320.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide is sourced from PubChem (CID 4621616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).