(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one

C20H21NO3 — CID 8604781

IUPAC(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one
SMILESCCC(=O)c1ccc(O[C@@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H21NO3/c1-3-19(22)16-8-10-17(11-9-16)24-14(2)20(23)21-13-12-15-6-4-5-7-18(15)21/h4-11,14H,3,12-13H2,1-2H3/t14-/m0/s1
InChIKeyCHYDZALVUPKOHG-AWEZNQCLSA-N
MW323.39 g/mol
LogP3.64
Rot. Bonds5

About (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one

(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one (PubChem CID 8604781) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one
PubChem CID8604781
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one
SMILESCCC(=O)c1ccc(O[C@@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H21NO3/c1-3-19(22)16-8-10-17(11-9-16)24-14(2)20(23)21-13-12-15-6-4-5-7-18(15)21/h4-11,14H,3,12-13H2,1-2H3/t14-/m0/s1
InChIKeyCHYDZALVUPKOHG-AWEZNQCLSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7763850
2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 26075972
4-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 16540669
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 132650039
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
(2R)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376112
(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376111
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943179
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(2-methylpropoxy)benzoate
CID 18289324
(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7425461
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 2661530

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one?
The IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one (CID 8604781) is (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one.
What is the SMILES notation for (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one?
The canonical SMILES for (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one is CCC(=O)c1ccc(O[C@@H](C)C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one?
The InChIKey is CHYDZALVUPKOHG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-19(22)16-8-10-17(11-9-16)24-14(2)20(23)21-13-12-15-6-4-5-7-18(15)21/h4-11,14H,3,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one?
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one has a molecular weight of 323.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one is sourced from PubChem (CID 8604781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).