N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide

C22H24N2O5 — CID 125123644

IUPACN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)NC[C@H]3COc4ccccc4O3)cccc21
InChIInChI=1S/C22H24N2O5/c1-26-12-11-24-10-9-17-18(24)5-4-8-19(17)28-15-22(25)23-13-16-14-27-20-6-2-3-7-21(20)29-16/h2-10,16H,11-15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyHQTDMTQTUPIFAC-INIZCTEOSA-N
MW396.44 g/mol
LogP2.62
Rot. Bonds8

About N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide (PubChem CID 125123644) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
PubChem CID125123644
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)NC[C@H]3COc4ccccc4O3)cccc21
InChIInChI=1S/C22H24N2O5/c1-26-12-11-24-10-9-17-18(24)5-4-8-19(17)28-15-22(25)23-13-16-14-27-20-6-2-3-7-21(20)29-16/h2-10,16H,11-15H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyHQTDMTQTUPIFAC-INIZCTEOSA-N
XLogP2.62
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethylphenoxy)acetamide
CID 127113071
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239933
2-(2-bromophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 18171240
N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239263
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide
CID 51219431
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8872816
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 18171281
2-(2,4-difluorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 51174288
[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7434452
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8894340
2-(4-chloro-2-methylphenoxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 2079986
2-(3-acetylphenoxy)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 7758419

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide (CID 125123644) is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide.
What is the SMILES notation for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The canonical SMILES for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide is COCCn1ccc2c(OCC(=O)NC[C@H]3COc4ccccc4O3)cccc21.
What is the InChIKey of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The InChIKey is HQTDMTQTUPIFAC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-26-12-11-24-10-9-17-18(24)5-4-8-19(17)28-15-22(25)23-13-16-14-27-20-6-2-3-7-21(20)29-16/h2-10,16H,11-15H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide has a molecular weight of 396.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide is sourced from PubChem (CID 125123644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).