[3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide

C28H40N5O10- — CID 163620929

About [3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide

[3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide (PubChem CID 163620929) has the molecular formula C28H40N5O10- and a molecular weight of 606.65 g/mol. Its IUPAC name is [3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide.

Molecular Properties

• Compound Name: [3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide
• PubChem CID: 163620929
• Molecular Formula: C28H40N5O10-
• Molecular Weight: 606.65 g/mol
• Exact Mass: 606.28
• IUPAC Name: [3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide
• SMILES: CC(C)(C)OC(=O)NCCOCCOCCOCCOCCONc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=[N-])C2=O
• InChI: InChI=1S/C28H40N5O10/c1-28(2,3)43-27(37)30-8-9-38-10-11-39-12-13-40-14-15-41-16-17-42-32-19-4-5-20-21(18-19)26(36)33(25(20)35)22-6-7-23(34)31-24(22)29/h4-5,18,22H,6-17H2,1-3H3,(H3-,29,30,31,32,34,35,37)/q-1
• InChIKey: HOASOUGYEIGQBX-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 185.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.65
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide?

The IUPAC name of [3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide (CID 163620929) is [3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide.

What is the SMILES notation for [3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide?

The canonical SMILES for [3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide is CC(C)(C)OC(=O)NCCOCCOCCOCCOCCONc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=[N-])C2=O.

What is the InChIKey of [3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide?

The InChIKey is HOASOUGYEIGQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N5O10/c1-28(2,3)43-27(37)30-8-9-38-10-11-39-12-13-40-14-15-41-16-17-42-32-19-4-5-20-21(18-19)26(36)33(25(20)35)22-6-7-23(34)31-24(22)29/h4-5,18,22H,6-17H2,1-3H3,(H3-,29,30,31,32,34,35,37)/q-1.

What are the key properties of [3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide?

[3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide has a molecular weight of 606.65 g/mol, XLogP of 1.46, 18 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide is sourced from PubChem (CID 163620929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).