tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate

C33H60N2O10 — CID 51032043

About tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate

tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate (PubChem CID 51032043) has the molecular formula C33H60N2O10 and a molecular weight of 644.85 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate.

Molecular Properties

• Compound Name: tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate
• PubChem CID: 51032043
• Molecular Formula: C33H60N2O10
• Molecular Weight: 644.85 g/mol
• Exact Mass: 644.42
• IUPAC Name: tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate
• SMILES: C=CCC(C(=O)OC(C)(C)C)N(CCOCCOCCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
• InChI: InChI=1S/C33H60N2O10/c1-14-15-25(29(39)45-33(11,12)13)35(24-28(38)44-32(8,9)10)17-19-41-21-20-40-18-16-34(22-26(36)42-30(2,3)4)23-27(37)43-31(5,6)7/h14,25H,1,15-24H2,2-13H3
• InChIKey: IQJOKXARBZDEKQ-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 130.14 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.85
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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 tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate?

The IUPAC name of tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate (CID 51032043) is tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate.

What is the SMILES notation for tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate?

The canonical SMILES for tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate is C=CCC(C(=O)OC(C)(C)C)N(CCOCCOCCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate?

The InChIKey is IQJOKXARBZDEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60N2O10/c1-14-15-25(29(39)45-33(11,12)13)35(24-28(38)44-32(8,9)10)17-19-41-21-20-40-18-16-34(22-26(36)42-30(2,3)4)23-27(37)43-31(5,6)7/h14,25H,1,15-24H2,2-13H3.

What are the key properties of tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate?

tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate has a molecular weight of 644.85 g/mol, XLogP of 3.94, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoate is sourced from PubChem (CID 51032043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).