2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide

C22H25NO5 — CID 92607469

IUPAC2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide
SMILESCN(C[C@H]1OCCc2ccccc21)C(=O)COC[C@@H]1COc2ccccc2O1
InChIInChI=1S/C22H25NO5/c1-23(12-21-18-7-3-2-6-16(18)10-11-26-21)22(24)15-25-13-17-14-27-19-8-4-5-9-20(19)28-17/h2-9,17,21H,10-15H2,1H3/t17-,21-/m1/s1
InChIKeyLVMHINAQNHCGMV-DYESRHJHSA-N
MW383.44 g/mol
LogP2.62
Rot. Bonds6

About 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide

2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide (PubChem CID 92607469) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide
PubChem CID92607469
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide
SMILESCN(C[C@H]1OCCc2ccccc21)C(=O)COC[C@@H]1COc2ccccc2O1
InChIInChI=1S/C22H25NO5/c1-23(12-21-18-7-3-2-6-16(18)10-11-26-21)22(24)15-25-13-17-14-27-19-8-4-5-9-20(19)28-17/h2-9,17,21H,10-15H2,1H3/t17-,21-/m1/s1
InChIKeyLVMHINAQNHCGMV-DYESRHJHSA-N
XLogP2.62
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide with MolForge

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Related Compounds

N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 95292524
methyl 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]acetate
CID 62737324
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 51873142
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-ethylphenoxy)-N-methylacetamide
CID 112792043
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylisoquinoline-1-carboxamide
CID 95284325
2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate
CID 3744758
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 51934323
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2,4-dimethoxy-N-methylbenzamide
CID 96998330
(3S)-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 95273672
(2R)-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-(dimethylamino)-2-(4-fluorophenyl)-N-methylacetamide
CID 92606011
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide
CID 138036603
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide
CID 51144843

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide (CID 92607469) is 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide is CN(C[C@H]1OCCc2ccccc21)C(=O)COC[C@@H]1COc2ccccc2O1.
What is the InChIKey of 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide?
The InChIKey is LVMHINAQNHCGMV-DYESRHJHSA-N. The full InChI is InChI=1S/C22H25NO5/c1-23(12-21-18-7-3-2-6-16(18)10-11-26-21)22(24)15-25-13-17-14-27-19-8-4-5-9-20(19)28-17/h2-9,17,21H,10-15H2,1H3/t17-,21-/m1/s1.
What are the key properties of 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide?
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide has a molecular weight of 383.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 92607469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).