2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide

C18H18N2O5 — CID 17433977

IUPAC2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide
SMILESCC(Oc1ccccc1C(N)=O)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N2O5/c1-11(25-14-5-3-2-4-13(14)17(19)21)18(22)20-12-6-7-15-16(10-12)24-9-8-23-15/h2-7,10-11H,8-9H2,1H3,(H2,19,21)(H,20,22)
InChIKeyHEHSUVVLJRQZDX-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.96
Rot. Bonds5

About 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide

2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 17433977) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID17433977
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide
SMILESCC(Oc1ccccc1C(N)=O)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N2O5/c1-11(25-14-5-3-2-4-13(14)17(19)21)18(22)20-12-6-7-15-16(10-12)24-9-8-23-15/h2-7,10-11H,8-9H2,1H3,(H2,19,21)(H,20,22)
InChIKeyHEHSUVVLJRQZDX-UHFFFAOYSA-N
XLogP1.96
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 42972240
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 2509588
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 7610324
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)propanamide
CID 7894309
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2-formylphenoxy)propanamide
CID 7762815
(2S)-2-(2,5-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 40793024
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893768
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)propanamide
CID 30384284
2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 42898417
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 7749710
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
CID 2566183

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide (CID 17433977) is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide is CC(Oc1ccccc1C(N)=O)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is HEHSUVVLJRQZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11(25-14-5-3-2-4-13(14)17(19)21)18(22)20-12-6-7-15-16(10-12)24-9-8-23-15/h2-7,10-11H,8-9H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide?
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 342.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 17433977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).