(2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane

C40H73N4O13P — CID 159605554

IUPAC(2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane
SMILESC.C.CC/N=C/OP(OCCCCCCCCCC(=O)ON1C(=O)CCC1=O)N(C(C)C)C(C)C.O=C(O)OCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C23H42N3O6P.C15H23NO7.2CH4/c1-6-24-18-31-33(26(19(2)3)20(4)5)30-17-13-11-9-7-8-10-12-14-23(29)32-25-21(27)15-16-22(25)28;17-12-9-10-13(18)16(12)23-14(19)8-6-4-2-1-3-5-7-11-22-15(20)21;;/h18-20H,6-17H2,1-5H3;1-11H2,(H,20,21);2*1H4/b24-18+;;;
InChIKeyMMAPTAWFKCWGIS-ANTZUWBTSA-N
MW849.01 g/mol
LogP8.82
Rot. Bonds29

About (2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane

(2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane (PubChem CID 159605554) has the molecular formula C40H73N4O13P and a molecular weight of 849.01 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane
PubChem CID159605554
Molecular FormulaC40H73N4O13P
Molecular Weight849.01 g/mol
Exact Mass848.49
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane
SMILESC.C.CC/N=C/OP(OCCCCCCCCCC(=O)ON1C(=O)CCC1=O)N(C(C)C)C(C)C.O=C(O)OCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C23H42N3O6P.C15H23NO7.2CH4/c1-6-24-18-31-33(26(19(2)3)20(4)5)30-17-13-11-9-7-8-10-12-14-23(29)32-25-21(27)15-16-22(25)28;17-12-9-10-13(18)16(12)23-14(19)8-6-4-2-1-3-5-7-11-22-15(20)21;;/h18-20H,6-17H2,1-5H3;1-11H2,(H,20,21);2*1H4/b24-18+;;;
InChIKeyMMAPTAWFKCWGIS-ANTZUWBTSA-N
XLogP8.82
TPSA207.95 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500849.01
LogP ≤ 58.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane with MolForge

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Related Compounds

8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxopropan-2-yl]amino]-6-oxohexanoate
CID 129055813
16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecane-1-sulfonic acid
CID 71468135
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane (CID 159605554) is (2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane is C.C.CC/N=C/OP(OCCCCCCCCCC(=O)ON1C(=O)CCC1=O)N(C(C)C)C(C)C.O=C(O)OCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane?
The InChIKey is MMAPTAWFKCWGIS-ANTZUWBTSA-N. The full InChI is InChI=1S/C23H42N3O6P.C15H23NO7.2CH4/c1-6-24-18-31-33(26(19(2)3)20(4)5)30-17-13-11-9-7-8-10-12-14-23(29)32-25-21(27)15-16-22(25)28;17-12-9-10-13(18)16(12)23-14(19)8-6-4-2-1-3-5-7-11-22-15(20)21;;/h18-20H,6-17H2,1-5H3;1-11H2,(H,20,21);2*1H4/b24-18+;;;.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane?
(2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane has a molecular weight of 849.01 g/mol, XLogP of 8.82, 29 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 10-carboxyoxydecanoate;(2,5-dioxopyrrolidin-1-yl) 10-[[di(propan-2-yl)amino]-(ethyliminomethoxy)phosphanyl]oxydecanoate;methane is sourced from PubChem (CID 159605554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).