methane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate

C24H36N2O8 — CID 143747929

IUPACmethane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
SMILESC.CN(OC(=O)CCCCCOC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)C(=O)CCC=O
InChIInChI=1S/C23H32N2O8.CH4/c1-24(19(27)6-5-14-26)33-22(30)7-3-2-4-15-32-23(31)18-10-8-17(9-11-18)16-25-20(28)12-13-21(25)29;/h12-14,17-18H,2-11,15-16H2,1H3;1H4
InChIKeySUHYJBONRGDYSG-UHFFFAOYSA-N
MW480.56 g/mol
LogP2.35
Rot. Bonds12

About methane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate

methane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate (PubChem CID 143747929) has the molecular formula C24H36N2O8 and a molecular weight of 480.56 g/mol. Its IUPAC name is methane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
PubChem CID143747929
Molecular FormulaC24H36N2O8
Molecular Weight480.56 g/mol
Exact Mass480.25
IUPAC Namemethane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
SMILESC.CN(OC(=O)CCCCCOC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)C(=O)CCC=O
InChIInChI=1S/C23H32N2O8.CH4/c1-24(19(27)6-5-14-26)33-22(30)7-3-2-4-15-32-23(31)18-10-8-17(9-11-18)16-25-20(28)12-13-21(25)29;/h12-14,17-18H,2-11,15-16H2,1H3;1H4
InChIKeySUHYJBONRGDYSG-UHFFFAOYSA-N
XLogP2.35
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Succinimidyl 4-(N-maleimidomethyl)cyclohexanecarboxylate
CID 125175
(2,5-Dioxopyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 11652864
(2,5-Dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]-1-formylcyclohexane-1-carboxylate
CID 19937118
(2,5-Dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboperoxoate
CID 20089730
[4-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxymethyl]cyclohexyl]methyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 21359083
[6-(2,5-Dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 57587875
(2,5-Dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate
CID 58078485
Sodium (2,5-dioxopyrrolidin-4-id-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 58165834
(2,5-Dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate
CID 58290833
(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 78323334
1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 78323335
[1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 78323336

Frequently Asked Questions

What is the IUPAC name of methane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The IUPAC name of methane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate (CID 143747929) is methane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate is C.CN(OC(=O)CCCCCOC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)C(=O)CCC=O.
What is the InChIKey of methane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The InChIKey is SUHYJBONRGDYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O8.CH4/c1-24(19(27)6-5-14-26)33-22(30)7-3-2-4-15-32-23(31)18-10-8-17(9-11-18)16-25-20(28)12-13-21(25)29;/h12-14,17-18H,2-11,15-16H2,1H3;1H4.
What are the key properties of methane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
methane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate has a molecular weight of 480.56 g/mol, XLogP of 2.35, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[6-[methyl(4-oxobutanoyl)amino]oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 143747929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).