(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate

C39H53N3O11 — CID 122675799

IUPAC(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate
SMILESCOCCCOCCNC(=O)CCCc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(CCCC(=O)NCCOC(C)CCO)ccc1-2
InChIInChI=1S/C39H53N3O11/c1-27(16-19-43)51-23-18-41-36(45)9-4-7-29-11-13-31-30-12-10-28(6-3-8-35(44)40-17-22-50-21-5-20-49-2)24-32(30)34(33(31)25-29)26-52-39(48)53-42-37(46)14-15-38(42)47/h10-13,24-25,27,34,43H,3-9,14-23,26H2,1-2H3,(H,40,44)(H,41,45)
InChIKeySSVJHTPWXSRLSZ-UHFFFAOYSA-N
MW739.86 g/mol
LogP3.73
Rot. Bonds24

About (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate

(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate (PubChem CID 122675799) has the molecular formula C39H53N3O11 and a molecular weight of 739.86 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate
PubChem CID122675799
Molecular FormulaC39H53N3O11
Molecular Weight739.86 g/mol
Exact Mass739.37
IUPAC Name(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate
SMILESCOCCCOCCNC(=O)CCCc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(CCCC(=O)NCCOC(C)CCO)ccc1-2
InChIInChI=1S/C39H53N3O11/c1-27(16-19-43)51-23-18-41-36(45)9-4-7-29-11-13-31-30-12-10-28(6-3-8-35(44)40-17-22-50-21-5-20-49-2)24-32(30)34(33(31)25-29)26-52-39(48)53-42-37(46)14-15-38(42)47/h10-13,24-25,27,34,43H,3-9,14-23,26H2,1-2H3,(H,40,44)(H,41,45)
InChIKeySSVJHTPWXSRLSZ-UHFFFAOYSA-N
XLogP3.73
TPSA179.03 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.86
LogP ≤ 53.73
H-Bond Donors ≤ 53
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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Related Compounds

[2-[4-(2-butoxyethylamino)-4-oxobutyl]-7-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 118088025
(2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate
CID 157273937
[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[[5-[2-(4-hydroxybutan-2-yloxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 89361961
(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
(2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate
CID 58856633
[2-acetamido-7-[[5-[2-(3-methoxypropoxy)ethylamino]-5-oxopentanoyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;bis([2-[(2-butoxyacetyl)amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate);[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-5-[2-(3-methoxypropoxy)ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate;N-(2-butoxyethyl)pentanamide;methanesulfonic acid
CID 157094879
[2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl methyl carbonate
CID 126550192
[2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 163680994
[2,7-bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 172844336
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoate
CID 140855910
[5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen
CID 161040533
[2-[4-oxo-4-(2-propoxyethylamino)butyl]-5-(2-propoxyethylcarbamoyl)-9H-fluoren-9-yl]methyl carbamate
CID 122691692

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate (CID 122675799) is (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate is COCCCOCCNC(=O)CCCc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cc(CCCC(=O)NCCOC(C)CCO)ccc1-2.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate?
The InChIKey is SSVJHTPWXSRLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H53N3O11/c1-27(16-19-43)51-23-18-41-36(45)9-4-7-29-11-13-31-30-12-10-28(6-3-8-35(44)40-17-22-50-21-5-20-49-2)24-32(30)34(33(31)25-29)26-52-39(48)53-42-37(46)14-15-38(42)47/h10-13,24-25,27,34,43H,3-9,14-23,26H2,1-2H3,(H,40,44)(H,41,45).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate?
(2,5-dioxopyrrolidin-1-yl) [2-[4-[2-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate has a molecular weight of 739.86 g/mol, XLogP of 3.73, 24 rotatable bonds, 3 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-(4-hydroxybutan-2-yloxy)ethylamino]-4-oxobutyl]-7-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate is sourced from PubChem (CID 122675799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).