ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide

C34H39FN2O4 — CID 123602399

About ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide

ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide (PubChem CID 123602399) has the molecular formula C34H39FN2O4 and a molecular weight of 558.69 g/mol. Its IUPAC name is ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide.

Molecular Properties

• Compound Name: ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
• PubChem CID: 123602399
• Molecular Formula: C34H39FN2O4
• Molecular Weight: 558.69 g/mol
• Exact Mass: 558.29
• IUPAC Name: ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
• SMILES: C=C.C[C@H]1Cc2cc(F)ccc2CC(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C2CN(c3ccccc3)C(=O)O2)C1
• InChI: InChI=1S/C32H35FN2O4.C2H4/c1-21-14-23(16-24-12-13-26(33)19-25(24)15-21)18-29(36)28(17-22-8-4-2-5-9-22)34-31(37)30-20-35(32(38)39-30)27-10-6-3-7-11-27;1-2/h2-13,19,21,23,28-30,36H,14-18,20H2,1H3,(H,34,37);1-2H2/t21-,23?,28+,29-,30?;/m1./s1
• InChIKey: YFAVIFJWUCMDAE-AZSCXJFHSA-N
• XLogP: 5.87
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.69
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide?

The IUPAC name of ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide (CID 123602399) is ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide.

What is the SMILES notation for ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide?

The canonical SMILES for ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide is C=C.C[C@H]1Cc2cc(F)ccc2CC(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C2CN(c3ccccc3)C(=O)O2)C1.

What is the InChIKey of ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide?

The InChIKey is YFAVIFJWUCMDAE-AZSCXJFHSA-N. The full InChI is InChI=1S/C32H35FN2O4.C2H4/c1-21-14-23(16-24-12-13-26(33)19-25(24)15-21)18-29(36)28(17-22-8-4-2-5-9-22)34-31(37)30-20-35(32(38)39-30)27-10-6-3-7-11-27;1-2/h2-13,19,21,23,28-30,36H,14-18,20H2,1H3,(H,34,37);1-2H2/t21-,23?,28+,29-,30?;/m1./s1.

What are the key properties of ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide?

ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide has a molecular weight of 558.69 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethene;N-[(2S,3R)-4-[(8R)-2-fluoro-8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 123602399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).