(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate

C36H47N3O11 — CID 58776041

IUPAC(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate
SMILESCOCCCOCCNC(=O)CCCc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cccc(C(=O)NCCOCCCOC)c1-2
InChIInChI=1S/C36H47N3O11/c1-45-17-5-19-47-21-15-37-31(40)10-3-7-25-11-12-27-29(23-25)30(24-49-36(44)50-39-32(41)13-14-33(39)42)26-8-4-9-28(34(26)27)35(43)38-16-22-48-20-6-18-46-2/h4,8-9,11-12,23,30H,3,5-7,10,13-22,24H2,1-2H3,(H,37,40)(H,38,43)
InChIKeyRUMJWWUPIOGCAX-UHFFFAOYSA-N
MW697.78 g/mol
LogP3.29
Rot. Bonds22

About (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate

(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate (PubChem CID 58776041) has the molecular formula C36H47N3O11 and a molecular weight of 697.78 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate
PubChem CID58776041
Molecular FormulaC36H47N3O11
Molecular Weight697.78 g/mol
Exact Mass697.32
IUPAC Name(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate
SMILESCOCCCOCCNC(=O)CCCc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cccc(C(=O)NCCOCCCOC)c1-2
InChIInChI=1S/C36H47N3O11/c1-45-17-5-19-47-21-15-37-31(40)10-3-7-25-11-12-27-29(23-25)30(24-49-36(44)50-39-32(41)13-14-33(39)42)26-8-4-9-28(34(26)27)35(43)38-16-22-48-20-6-18-46-2/h4,8-9,11-12,23,30H,3,5-7,10,13-22,24H2,1-2H3,(H,37,40)(H,38,43)
InChIKeyRUMJWWUPIOGCAX-UHFFFAOYSA-N
XLogP3.29
TPSA168.03 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.78
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate (CID 58776041) is (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate is COCCCOCCNC(=O)CCCc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cccc(C(=O)NCCOCCCOC)c1-2.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate?
The InChIKey is RUMJWWUPIOGCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47N3O11/c1-45-17-5-19-47-21-15-37-31(40)10-3-7-25-11-12-27-29(23-25)30(24-49-36(44)50-39-32(41)13-14-33(39)42)26-8-4-9-28(34(26)27)35(43)38-16-22-48-20-6-18-46-2/h4,8-9,11-12,23,30H,3,5-7,10,13-22,24H2,1-2H3,(H,37,40)(H,38,43).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate?
(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate has a molecular weight of 697.78 g/mol, XLogP of 3.29, 22 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl carbonate is sourced from PubChem (CID 58776041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).