[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate

C22H23NO4 — CID 94819475

IUPAC[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate
SMILESCC(C)(C)c1ccc(C(=O)COC(=O)C[C@@H]2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C22H23NO4/c1-22(2,3)15-10-8-14(9-11-15)19(24)13-27-20(25)12-17-16-6-4-5-7-18(16)23-21(17)26/h4-11,17H,12-13H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyYWSBKDOYSZDUFB-KRWDZBQOSA-N
MW365.43 g/mol
LogP3.84
Rot. Bonds5

About [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate

[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate (PubChem CID 94819475) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate
PubChem CID94819475
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate
SMILESCC(C)(C)c1ccc(C(=O)COC(=O)C[C@@H]2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C22H23NO4/c1-22(2,3)15-10-8-14(9-11-15)19(24)13-27-20(25)12-17-16-6-4-5-7-18(16)23-21(17)26/h4-11,17H,12-13H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyYWSBKDOYSZDUFB-KRWDZBQOSA-N
XLogP3.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate with MolForge

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Related Compounds

[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8539890
methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate
CID 14903583
(3S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 164681170
ethyl 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetate
CID 132542519
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 589482
[2-(4-butylphenyl)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7276838
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate
CID 71935549
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate
CID 94819466
ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate
CID 53474520
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8983462
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761796
N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694642

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate?
The IUPAC name of [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate (CID 94819475) is [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate.
What is the SMILES notation for [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate?
The canonical SMILES for [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate is CC(C)(C)c1ccc(C(=O)COC(=O)C[C@@H]2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate?
The InChIKey is YWSBKDOYSZDUFB-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23NO4/c1-22(2,3)15-10-8-14(9-11-15)19(24)13-27-20(25)12-17-16-6-4-5-7-18(16)23-21(17)26/h4-11,17H,12-13H2,1-3H3,(H,23,26)/t17-/m0/s1.
What are the key properties of [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate?
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate has a molecular weight of 365.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate is sourced from PubChem (CID 94819475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).