2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C24H24N2O3 — CID 112781040

IUPAC2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H24N2O3/c27-24(25-21-11-12-22-23(15-21)29-14-13-28-22)18-26(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-12,15H,13-14,16-18H2,(H,25,27)
InChIKeyVKEKIHPKLJGWTE-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.10
Rot. Bonds7

About 2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 112781040) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID112781040
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H24N2O3/c27-24(25-21-11-12-22-23(15-21)29-14-13-28-22)18-26(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-12,15H,13-14,16-18H2,(H,25,27)
InChIKeyVKEKIHPKLJGWTE-UHFFFAOYSA-N
XLogP4.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylamino]acetamide
CID 9030573
N'-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-propan-2-ylpropanediamide
CID 108951740
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 24508654
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphenyl)acetamide
CID 832236
2-[bis[2-[carboxymethyl-[2-oxo-2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylamino)ethyl]amino]ethyl]amino]acetic acid
CID 11847760
3-[benzyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113138727
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-methylpropanediamide
CID 108946171
(2S)-2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide
CID 94233312
2-[(2,3-difluorophenyl)methyl-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 24508655
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-phenylacetamide
CID 31380025
2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 2109646
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 112781040) is 2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is VKEKIHPKLJGWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-24(25-21-11-12-22-23(15-21)29-14-13-28-22)18-26(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-12,15H,13-14,16-18H2,(H,25,27).
What are the key properties of 2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 112781040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).