N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide

C30H35N3O6 — CID 134959197

About N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide

N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide (PubChem CID 134959197) has the molecular formula C30H35N3O6 and a molecular weight of 533.63 g/mol. Its IUPAC name is N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide.

Molecular Properties

• Compound Name: N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide
• PubChem CID: 134959197
• Molecular Formula: C30H35N3O6
• Molecular Weight: 533.63 g/mol
• Exact Mass: 533.25
• IUPAC Name: N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide
• SMILES: CC(=O)N(CC(C)(C)C[C@@H](C(=O)N1C(=O)OC[C@@H]1C(C)(C)C)N1C(=O)c2ccccc2C1=O)c1ccccc1
• InChI: InChI=1S/C30H35N3O6/c1-19(34)31(20-12-8-7-9-13-20)18-30(5,6)16-23(27(37)33-24(29(2,3)4)17-39-28(33)38)32-25(35)21-14-10-11-15-22(21)26(32)36/h7-15,23-24H,16-18H2,1-6H3/t23-,24+/m0/s1
• InChIKey: HEZJYTITACWPMS-BJKOFHAPSA-N
• XLogP: 4.51
• TPSA: 104.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide?

The IUPAC name of N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide (CID 134959197) is N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide.

What is the SMILES notation for N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide?

The canonical SMILES for N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide is CC(=O)N(CC(C)(C)C[C@@H](C(=O)N1C(=O)OC[C@@H]1C(C)(C)C)N1C(=O)c2ccccc2C1=O)c1ccccc1.

What is the InChIKey of N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide?

The InChIKey is HEZJYTITACWPMS-BJKOFHAPSA-N. The full InChI is InChI=1S/C30H35N3O6/c1-19(34)31(20-12-8-7-9-13-20)18-30(5,6)16-23(27(37)33-24(29(2,3)4)17-39-28(33)38)32-25(35)21-14-10-11-15-22(21)26(32)36/h7-15,23-24H,16-18H2,1-6H3/t23-,24+/m0/s1.

What are the key properties of N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide?

N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide has a molecular weight of 533.63 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S)-5-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-4-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxopentyl]-N-phenylacetamide is sourced from PubChem (CID 134959197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).