2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione

C29H26N2O5 — CID 85319366

IUPAC2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione
SMILESCC(C)C1N(C(=O)CCN2C(=O)c3ccccc3C2=O)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26N2O5/c1-19(2)25-29(20-11-5-3-6-12-20,21-13-7-4-8-14-21)36-28(35)31(25)24(32)17-18-30-26(33)22-15-9-10-16-23(22)27(30)34/h3-16,19,25H,17-18H2,1-2H3
InChIKeyTZGCYHHNWNTNSS-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.62
Rot. Bonds6

About 2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione

2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione (PubChem CID 85319366) has the molecular formula C29H26N2O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione
PubChem CID85319366
Molecular FormulaC29H26N2O5
Molecular Weight482.54 g/mol
Exact Mass482.18
IUPAC Name2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione
SMILESCC(C)C1N(C(=O)CCN2C(=O)c3ccccc3C2=O)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26N2O5/c1-19(2)25-29(20-11-5-3-6-12-20,21-13-7-4-8-14-21)36-28(35)31(25)24(32)17-18-30-26(33)22-15-9-10-16-23(22)27(30)34/h3-16,19,25H,17-18H2,1-2H3
InChIKeyTZGCYHHNWNTNSS-UHFFFAOYSA-N
XLogP4.62
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15854117
5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 5251096
3-[(E)-3-nitroprop-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102166389
(4S)-3-acetyl-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 159791502
(4S)-3-[(1R,2R,3S,4S)-3-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11069733
(4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10832063
(4S)-3-[(3R)-2-fluoro-3-hydroxy-2-methylpent-4-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139309212
2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione
CID 23374871
(4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one
CID 10501109
(4S)-3-acetyl-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[(3S)-4-nitro-3-[2-(trifluoromethyl)phenyl]butanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 161027478
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-methylamino]propanoic acid
CID 119208715
2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 17403440

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione (CID 85319366) is 2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione is CC(C)C1N(C(=O)CCN2C(=O)c3ccccc3C2=O)C(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione?
The InChIKey is TZGCYHHNWNTNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5/c1-19(2)25-29(20-11-5-3-6-12-20,21-13-7-4-8-14-21)36-28(35)31(25)24(32)17-18-30-26(33)22-15-9-10-16-23(22)27(30)34/h3-16,19,25H,17-18H2,1-2H3.
What are the key properties of 2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione?
2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione has a molecular weight of 482.54 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 85319366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).