ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione

C29H38N4O5 — CID 143510353

About ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione

ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione (PubChem CID 143510353) has the molecular formula C29H38N4O5 and a molecular weight of 522.65 g/mol. Its IUPAC name is ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione
• PubChem CID: 143510353
• Molecular Formula: C29H38N4O5
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.28
• IUPAC Name: ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione
• SMILES: C=C/C(=C\C=C(/C)O/C(=C/N=C/CC)CC)[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O.CC
• InChI: InChI=1S/C27H32N4O5.C2H6/c1-6-13-28-15-21(8-3)36-18(4)9-11-20(7-2)27(25(33)29-26(34)30-27)17-31-16-19-10-12-22(35-5)14-23(19)24(31)32;1-2/h7,9-15H,2,6,8,16-17H2,1,3-5H3,(H2,29,30,33,34);1-2H3/b18-9+,20-11+,21-15+,28-13+;/t27-;/m0./s1
• InChIKey: SBKMMQJWQNATSU-GVYNIMHESA-N
• XLogP: 5.02
• TPSA: 109.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione?

The IUPAC name of ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione (CID 143510353) is ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione.

What is the SMILES notation for ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione?

The canonical SMILES for ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione is C=C/C(=C\C=C(/C)O/C(=C/N=C/CC)CC)[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O.CC.

What is the InChIKey of ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione?

The InChIKey is SBKMMQJWQNATSU-GVYNIMHESA-N. The full InChI is InChI=1S/C27H32N4O5.C2H6/c1-6-13-28-15-21(8-3)36-18(4)9-11-20(7-2)27(25(33)29-26(34)30-27)17-31-16-19-10-12-22(35-5)14-23(19)24(31)32;1-2/h7,9-15H,2,6,8,16-17H2,1,3-5H3,(H2,29,30,33,34);1-2H3/b18-9+,20-11+,21-15+,28-13+;/t27-;/m0./s1.

What are the key properties of ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione?

ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione has a molecular weight of 522.65 g/mol, XLogP of 5.02, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(3E,5E)-6-[(E)-1-(propylideneamino)but-1-en-2-yl]oxyhepta-1,3,5-trien-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 143510353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).