N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide

C32H33N3O2 — CID 72945135

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide
SMILESCC(C)(C)C(=O)N(C/C=C/c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)[C@@H]1CCc2ccccc21
InChIInChI=1S/C32H33N3O2/c1-31(2,3)30(37)35(27-15-14-22-9-4-5-10-25(22)27)17-7-8-21-12-13-23-19-32(20-24(23)18-21)26-11-6-16-33-28(26)34-29(32)36/h4-13,16,18,27H,14-15,17,19-20H2,1-3H3,(H,33,34,36)/b8-7+/t27-,32-/m1/s1
InChIKeyGZNXOZBMUGJEGL-DVAGCTCGSA-N
MW491.64 g/mol
LogP5.65
Rot. Bonds4

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide (PubChem CID 72945135) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide
PubChem CID72945135
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide
SMILESCC(C)(C)C(=O)N(C/C=C/c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)[C@@H]1CCc2ccccc21
InChIInChI=1S/C32H33N3O2/c1-31(2,3)30(37)35(27-15-14-22-9-4-5-10-25(22)27)17-7-8-21-12-13-23-19-32(20-24(23)18-21)26-11-6-16-33-28(26)34-29(32)36/h4-13,16,18,27H,14-15,17,19-20H2,1-3H3,(H,33,34,36)/b8-7+/t27-,32-/m1/s1
InChIKeyGZNXOZBMUGJEGL-DVAGCTCGSA-N
XLogP5.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide (CID 72945135) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide is CC(C)(C)C(=O)N(C/C=C/c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)[C@@H]1CCc2ccccc21.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide?
The InChIKey is GZNXOZBMUGJEGL-DVAGCTCGSA-N. The full InChI is InChI=1S/C32H33N3O2/c1-31(2,3)30(37)35(27-15-14-22-9-4-5-10-25(22)27)17-7-8-21-12-13-23-19-32(20-24(23)18-21)26-11-6-16-33-28(26)34-29(32)36/h4-13,16,18,27H,14-15,17,19-20H2,1-3H3,(H,33,34,36)/b8-7+/t27-,32-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide has a molecular weight of 491.64 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2-dimethyl-N-[(E)-3-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]prop-2-enyl]propanamide is sourced from PubChem (CID 72945135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).