ethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate

C31H56N2O5 — CID 58420820

IUPACethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate
SMILESCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(OC(C)(C)C(=O)OCC)C(C)(C)C2)C1=O
InChIInChI=1S/C31H56N2O5/c1-9-11-12-13-14-15-16-17-18-19-20-24-21-26(34)32(27(24)35)25-22-29(3,4)33(30(5,6)23-25)38-31(7,8)28(36)37-10-2/h24-25H,9-23H2,1-8H3
InChIKeySEBVWOSVBSNFJN-UHFFFAOYSA-N
MW536.80 g/mol
LogP6.97
Rot. Bonds16

About ethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate

ethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate (PubChem CID 58420820) has the molecular formula C31H56N2O5 and a molecular weight of 536.80 g/mol. Its IUPAC name is ethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate
PubChem CID58420820
Molecular FormulaC31H56N2O5
Molecular Weight536.80 g/mol
Exact Mass536.42
IUPAC Nameethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate
SMILESCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(OC(C)(C)C(=O)OCC)C(C)(C)C2)C1=O
InChIInChI=1S/C31H56N2O5/c1-9-11-12-13-14-15-16-17-18-19-20-24-21-26(34)32(27(24)35)25-22-29(3,4)33(30(5,6)23-25)38-31(7,8)28(36)37-10-2/h24-25H,9-23H2,1-8H3
InChIKeySEBVWOSVBSNFJN-UHFFFAOYSA-N
XLogP6.97
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.80
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 ethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate (CID 58420820) is ethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate is CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(OC(C)(C)C(=O)OCC)C(C)(C)C2)C1=O.
What is the InChIKey of ethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate?
The InChIKey is SEBVWOSVBSNFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H56N2O5/c1-9-11-12-13-14-15-16-17-18-19-20-24-21-26(34)32(27(24)35)25-22-29(3,4)33(30(5,6)23-25)38-31(7,8)28(36)37-10-2/h24-25H,9-23H2,1-8H3.
What are the key properties of ethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate?
ethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate has a molecular weight of 536.80 g/mol, XLogP of 6.97, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropanoate is sourced from PubChem (CID 58420820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).