[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate

C23H25NO5 — CID 7196346

IUPAC[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate
SMILESCC(=O)c1ccc(OCCCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H25NO5/c1-16(25)18-9-11-20(12-10-18)28-15-5-8-22(26)29-17(2)23(27)24-14-13-19-6-3-4-7-21(19)24/h3-4,6-7,9-12,17H,5,8,13-15H2,1-2H3/t17-/m1/s1
InChIKeyDHGPBXJVQYHUAW-QGZVFWFLSA-N
MW395.46 g/mol
LogP3.57
Rot. Bonds8

About [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate

[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate (PubChem CID 7196346) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate.

Molecular Properties

Compound Name[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate
PubChem CID7196346
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate
SMILESCC(=O)c1ccc(OCCCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H25NO5/c1-16(25)18-9-11-20(12-10-18)28-15-5-8-22(26)29-17(2)23(27)24-14-13-19-6-3-4-7-21(19)24/h3-4,6-7,9-12,17H,5,8,13-15H2,1-2H3/t17-/m1/s1
InChIKeyDHGPBXJVQYHUAW-QGZVFWFLSA-N
XLogP3.57
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7763850
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(2-methylpropoxy)benzoate
CID 18289324
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734594
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550069
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 2661530
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one
CID 8604781
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783234
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-[(4-nitrobenzoyl)amino]propanoate
CID 4840906
2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 2661473
[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate
CID 51968196

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate?
The IUPAC name of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate (CID 7196346) is [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate.
What is the SMILES notation for [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate?
The canonical SMILES for [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate is CC(=O)c1ccc(OCCCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate?
The InChIKey is DHGPBXJVQYHUAW-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25NO5/c1-16(25)18-9-11-20(12-10-18)28-15-5-8-22(26)29-17(2)23(27)24-14-13-19-6-3-4-7-21(19)24/h3-4,6-7,9-12,17H,5,8,13-15H2,1-2H3/t17-/m1/s1.
What are the key properties of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate?
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate has a molecular weight of 395.46 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate is sourced from PubChem (CID 7196346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).