N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide

C26H32N2O4 — CID 56965445

IUPACN-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H32N2O4/c29-25(15-18-13-19-5-1-2-6-20(19)14-18)27-22(17-28-9-3-4-10-28)26(30)21-7-8-23-24(16-21)32-12-11-31-23/h1-2,5-8,16,18,22,26,30H,3-4,9-15,17H2,(H,27,29)/t22-,26-/m1/s1
InChIKeyWXPGOGVMRCVPDZ-ATIYNZHBSA-N
MW436.55 g/mol
LogP2.88
Rot. Bonds7

About N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide

N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide (PubChem CID 56965445) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide
PubChem CID56965445
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H32N2O4/c29-25(15-18-13-19-5-1-2-6-20(19)14-18)27-22(17-28-9-3-4-10-28)26(30)21-7-8-23-24(16-21)32-12-11-31-23/h1-2,5-8,16,18,22,26,30H,3-4,9-15,17H2,(H,27,29)/t22-,26-/m1/s1
InChIKeyWXPGOGVMRCVPDZ-ATIYNZHBSA-N
XLogP2.88
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide with MolForge

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Related Compounds

N-((1R,2R)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl)octanamide
CID 23652731
Genz-123346
CID 23652732
Hexadecanoic acid [2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-hydroxy-1-pyrrolidin-1-ylmethyl-ethyl]-amide
CID 11569854
Eliglustat (SR) Diastereomer
CID 57394510
N-[(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]nonanamide
CID 57403223
US10202340, Example 12
CID 134192688
US10202340, Example 9
CID 122445037
US10202340, Example 7
CID 122484440
US10202340, Example 14
CID 122484534
US10202340, Example 5
CID 122484573
US10202340, Example 1
CID 122484713
US10202340, Example 11
CID 122445044

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The IUPAC name of N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide (CID 56965445) is N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide is O=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The InChIKey is WXPGOGVMRCVPDZ-ATIYNZHBSA-N. The full InChI is InChI=1S/C26H32N2O4/c29-25(15-18-13-19-5-1-2-6-20(19)14-18)27-22(17-28-9-3-4-10-28)26(30)21-7-8-23-24(16-21)32-12-11-31-23/h1-2,5-8,16,18,22,26,30H,3-4,9-15,17H2,(H,27,29)/t22-,26-/m1/s1.
What are the key properties of N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide has a molecular weight of 436.55 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide is sourced from PubChem (CID 56965445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).