[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate

C26H23NO4 — CID 7901776

IUPAC[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESC[C@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C26H23NO4/c1-16-13-19-8-4-6-10-22(19)27(16)26(29)17(2)31-24(28)14-20-15-30-23-12-11-18-7-3-5-9-21(18)25(20)23/h3-12,15-17H,13-14H2,1-2H3/t16-,17-/m0/s1
InChIKeyGINJDAGOHBYUQY-IRXDYDNUSA-N
MW413.47 g/mol
LogP5.04
Rot. Bonds4

About [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate

[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate (PubChem CID 7901776) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate.

Molecular Properties

Compound Name[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
PubChem CID7901776
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
SMILESC[C@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C26H23NO4/c1-16-13-19-8-4-6-10-22(19)27(16)26(29)17(2)31-24(28)14-20-15-30-23-12-11-18-7-3-5-9-21(18)25(20)23/h3-12,15-17H,13-14H2,1-2H3/t16-,17-/m0/s1
InChIKeyGINJDAGOHBYUQY-IRXDYDNUSA-N
XLogP5.04
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
CID 7889550
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 4288026
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-phenylacetate
CID 7874744
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8984292
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 8579130
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786546
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980296
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 8904879
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766320
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 7229562
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676224
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901769

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate?
The IUPAC name of [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate (CID 7901776) is [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate.
What is the SMILES notation for [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate?
The canonical SMILES for [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate is C[C@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate?
The InChIKey is GINJDAGOHBYUQY-IRXDYDNUSA-N. The full InChI is InChI=1S/C26H23NO4/c1-16-13-19-8-4-6-10-22(19)27(16)26(29)17(2)31-24(28)14-20-15-30-23-12-11-18-7-3-5-9-21(18)25(20)23/h3-12,15-17H,13-14H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate?
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate has a molecular weight of 413.47 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate is sourced from PubChem (CID 7901776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).