[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

C23H25NO4 — CID 7234952

IUPAC[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESC[C@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C23H25NO4/c1-15-12-19-6-3-4-9-21(19)24(15)23(26)16(2)28-22(25)14-27-20-11-10-17-7-5-8-18(17)13-20/h3-4,6,9-11,13,15-16H,5,7-8,12,14H2,1-2H3/t15-,16+/m1/s1
InChIKeyHNSQWDRDBBRNIB-CVEARBPZSA-N
MW379.46 g/mol
LogP3.46
Rot. Bonds5

About [(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (PubChem CID 7234952) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is [(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

Molecular Properties

Compound Name[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
PubChem CID7234952
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESC[C@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C23H25NO4/c1-15-12-19-6-3-4-9-21(19)24(15)23(26)16(2)28-22(25)14-27-20-11-10-17-7-5-8-18(17)13-20/h3-4,6,9-11,13,15-16H,5,7-8,12,14H2,1-2H3/t15-,16+/m1/s1
InChIKeyHNSQWDRDBBRNIB-CVEARBPZSA-N
XLogP3.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234951
[(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
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8579429
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 8579431
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-fluorophenoxy)acetate
CID 9140194
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 7865690
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275501
[(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-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907822
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676224
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 8579130

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The IUPAC name of [(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (CID 7234952) is [(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.
What is the SMILES notation for [(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The canonical SMILES for [(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is C[C@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)N1c2ccccc2C[C@H]1C.
What is the InChIKey of [(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The InChIKey is HNSQWDRDBBRNIB-CVEARBPZSA-N. The full InChI is InChI=1S/C23H25NO4/c1-15-12-19-6-3-4-9-21(19)24(15)23(26)16(2)28-22(25)14-27-20-11-10-17-7-5-8-18(17)13-20/h3-4,6,9-11,13,15-16H,5,7-8,12,14H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of [(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate has a molecular weight of 379.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is sourced from PubChem (CID 7234952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).