ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol

C39H79N3O8 — CID 164530642

About ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol

ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol (PubChem CID 164530642) has the molecular formula C39H79N3O8 and a molecular weight of 718.07 g/mol. Its IUPAC name is ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol.

Molecular Properties

• Compound Name: ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol
• PubChem CID: 164530642
• Molecular Formula: C39H79N3O8
• Molecular Weight: 718.07 g/mol
• Exact Mass: 717.59
• IUPAC Name: ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol
• SMILES: C=C.C=CCCCCCCCCCCCCCCC(=C)O.CCOCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C)NC.CO
• InChI: InChI=1S/C18H37N3O6.C18H34O.C2H4.CH4O/c1-4-24-11-12-25-10-8-21-18(23)15-27-14-13-26-9-7-20-17(22)6-5-16(2)19-3;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19;2*1-2/h16,19H,4-15H2,1-3H3,(H,20,22)(H,21,23);3,19H,1-2,4-17H2;1-2H2;2H,1H3/t16-;;;/m1.../s1
• InChIKey: FRMOSDIDCBUIMO-UFRNLTNDSA-N
• XLogP: 6.81
• TPSA: 147.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 34
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.07
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol?

The IUPAC name of ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol (CID 164530642) is ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol.

What is the SMILES notation for ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol?

The canonical SMILES for ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol is C=C.C=CCCCCCCCCCCCCCCC(=C)O.CCOCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C)NC.CO.

What is the InChIKey of ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol?

The InChIKey is FRMOSDIDCBUIMO-UFRNLTNDSA-N. The full InChI is InChI=1S/C18H37N3O6.C18H34O.C2H4.CH4O/c1-4-24-11-12-25-10-8-21-18(23)15-27-14-13-26-9-7-20-17(22)6-5-16(2)19-3;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19;2*1-2/h16,19H,4-15H2,1-3H3,(H,20,22)(H,21,23);3,19H,1-2,4-17H2;1-2H2;2H,1H3/t16-;;;/m1.../s1.

What are the key properties of ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol?

ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol has a molecular weight of 718.07 g/mol, XLogP of 6.81, 34 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethene;(4R)-N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-4-(methylamino)pentanamide;methanol;octadeca-1,17-dien-2-ol is sourced from PubChem (CID 164530642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).