N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide

C23H27N3O2 — CID 58393908

IUPACN-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(O[C@@H]2c3ccccc3C[C@H]2N2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C23H27N3O2/c1-15(27)25-19-6-4-7-20(10-19)28-23-21-8-3-2-5-16(21)9-22(23)26-13-17-11-24-12-18(17)14-26/h2-8,10,17-18,22-24H,9,11-14H2,1H3,(H,25,27)/t17-,18+,22-,23-/m1/s1
InChIKeyCJAIVJSWLWTALL-AAUAJYIVSA-N
MW377.49 g/mol
LogP2.84
Rot. Bonds4

About N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide

N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide (PubChem CID 58393908) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
PubChem CID58393908
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(O[C@@H]2c3ccccc3C[C@H]2N2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C23H27N3O2/c1-15(27)25-19-6-4-7-20(10-19)28-23-21-8-3-2-5-16(21)9-22(23)26-13-17-11-24-12-18(17)14-26/h2-8,10,17-18,22-24H,9,11-14H2,1H3,(H,25,27)/t17-,18+,22-,23-/m1/s1
InChIKeyCJAIVJSWLWTALL-AAUAJYIVSA-N
XLogP2.84
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The IUPAC name of N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide (CID 58393908) is N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide is CC(=O)Nc1cccc(O[C@@H]2c3ccccc3C[C@H]2N2C[C@H]3CNC[C@H]3C2)c1.
What is the InChIKey of N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The InChIKey is CJAIVJSWLWTALL-AAUAJYIVSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15(27)25-19-6-4-7-20(10-19)28-23-21-8-3-2-5-16(21)9-22(23)26-13-17-11-24-12-18(17)14-26/h2-8,10,17-18,22-24H,9,11-14H2,1H3,(H,25,27)/t17-,18+,22-,23-/m1/s1.
What are the key properties of N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R,2R)-2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 58393908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).