N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide

C18H24N2O4 — CID 156610734

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
SMILESCOC1CCCC2CN(C(=O)Nc3ccc4c(c3)OCCO4)CC21
InChIInChI=1S/C18H24N2O4/c1-22-15-4-2-3-12-10-20(11-14(12)15)18(21)19-13-5-6-16-17(9-13)24-8-7-23-16/h5-6,9,12,14-15H,2-4,7-8,10-11H2,1H3,(H,19,21)
InChIKeyXARFBAZLEQBZEJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.74
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide (PubChem CID 156610734) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
PubChem CID156610734
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
SMILESCOC1CCCC2CN(C(=O)Nc3ccc4c(c3)OCCO4)CC21
InChIInChI=1S/C18H24N2O4/c1-22-15-4-2-3-12-10-20(11-14(12)15)18(21)19-13-5-6-16-17(9-13)24-8-7-23-16/h5-6,9,12,14-15H,2-4,7-8,10-11H2,1H3,(H,19,21)
InChIKeyXARFBAZLEQBZEJ-UHFFFAOYSA-N
XLogP2.74
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide with MolForge

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Related Compounds

(3aS,6aR)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 136585527
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(3R)-3-acetamido-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
CID 94820143
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CID 970148
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2-(cyclopropylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;hydrochloride
CID 119669227
N-(1,3-benzodioxol-5-yl)-3-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide (CID 156610734) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide is COC1CCCC2CN(C(=O)Nc3ccc4c(c3)OCCO4)CC21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide?
The InChIKey is XARFBAZLEQBZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-22-15-4-2-3-12-10-20(11-14(12)15)18(21)19-13-5-6-16-17(9-13)24-8-7-23-16/h5-6,9,12,14-15H,2-4,7-8,10-11H2,1H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide is sourced from PubChem (CID 156610734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).