2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide

C19H22N2O5 — CID 99784502

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide
SMILESCOC(OC)[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1cccnc1
InChIInChI=1S/C19H22N2O5/c1-23-19(24-2)18(14-4-3-7-20-12-14)21-17(22)11-13-5-6-15-16(10-13)26-9-8-25-15/h3-7,10,12,18-19H,8-9,11H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyBMUHBMWSZBXIDD-GOSISDBHSA-N
MW358.39 g/mol
LogP1.87
Rot. Bonds7

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide (PubChem CID 99784502) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide
PubChem CID99784502
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide
SMILESCOC(OC)[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1cccnc1
InChIInChI=1S/C19H22N2O5/c1-23-19(24-2)18(14-4-3-7-20-12-14)21-17(22)11-13-5-6-15-16(10-13)26-9-8-25-15/h3-7,10,12,18-19H,8-9,11H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyBMUHBMWSZBXIDD-GOSISDBHSA-N
XLogP1.87
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,2-dimethoxy-1-pyridin-3-ylethyl)acetamide
CID 86794050
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51606566
2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99926874
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]ethanone
CID 127323032
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 95130191
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18114855
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46451961
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46649834
[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl] pyridine-3-carboxylate
CID 9414252
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 9258530
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97268430

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide (CID 99784502) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide is COC(OC)[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1cccnc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide?
The InChIKey is BMUHBMWSZBXIDD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-23-19(24-2)18(14-4-3-7-20-12-14)21-17(22)11-13-5-6-15-16(10-13)26-9-8-25-15/h3-7,10,12,18-19H,8-9,11H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide has a molecular weight of 358.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-2,2-dimethoxy-1-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 99784502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).