[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate

C25H27NO5 — CID 8643190

IUPAC[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)O[C@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C25H27NO5/c27-22(21-10-9-18-7-4-8-20(18)17-21)11-12-23(28)31-24(19-5-2-1-3-6-19)25(29)26-13-15-30-16-14-26/h1-3,5-6,9-10,17,24H,4,7-8,11-16H2/t24-/m0/s1
InChIKeyTZOFIJSRCJPUTK-DEOSSOPVSA-N
MW421.49 g/mol
LogP3.28
Rot. Bonds7

About [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate

[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate (PubChem CID 8643190) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate.

Molecular Properties

Compound Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
PubChem CID8643190
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)O[C@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C25H27NO5/c27-22(21-10-9-18-7-4-8-20(18)17-21)11-12-23(28)31-24(19-5-2-1-3-6-19)25(29)26-13-15-30-16-14-26/h1-3,5-6,9-10,17,24H,4,7-8,11-16H2/t24-/m0/s1
InChIKeyTZOFIJSRCJPUTK-DEOSSOPVSA-N
XLogP3.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate with MolForge

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Launch Full Analysis

Related Compounds

[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 46624956
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 55445511
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
(2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-morpholin-4-yl-2-phenylethanone
CID 9296614
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 7699782
4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]morpholine-3-carboxylic acid
CID 120686796
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
1-(aziridin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 82117888
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(4-fluorophenoxy)acetate
CID 47009421
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7716227
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate?
The IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate (CID 8643190) is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate.
What is the SMILES notation for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate?
The canonical SMILES for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate is O=C(CCC(=O)c1ccc2c(c1)CCC2)O[C@H](C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate?
The InChIKey is TZOFIJSRCJPUTK-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H27NO5/c27-22(21-10-9-18-7-4-8-20(18)17-21)11-12-23(28)31-24(19-5-2-1-3-6-19)25(29)26-13-15-30-16-14-26/h1-3,5-6,9-10,17,24H,4,7-8,11-16H2/t24-/m0/s1.
What are the key properties of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate?
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate has a molecular weight of 421.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate is sourced from PubChem (CID 8643190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).