1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate

C24H45NO4 — CID 6424625

IUPAC1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate
SMILESCCCCCCCCCCCCCCOC(=O)C1CCCN1C(=O)OCC(C)C
InChIInChI=1S/C24H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-28-23(26)22-17-16-18-25(22)24(27)29-20-21(2)3/h21-22H,4-20H2,1-3H3
InChIKeyZOWQWHJNPRPPFY-UHFFFAOYSA-N
MW411.63 g/mol
LogP6.49
Rot. Bonds16

About 1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate

1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate (PubChem CID 6424625) has the molecular formula C24H45NO4 and a molecular weight of 411.63 g/mol. Its IUPAC name is 1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate
PubChem CID6424625
Molecular FormulaC24H45NO4
Molecular Weight411.63 g/mol
Exact Mass411.33
IUPAC Name1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate
SMILESCCCCCCCCCCCCCCOC(=O)C1CCCN1C(=O)OCC(C)C
InChIInChI=1S/C24H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-28-23(26)22-17-16-18-25(22)24(27)29-20-21(2)3/h21-22H,4-20H2,1-3H3
InChIKeyZOWQWHJNPRPPFY-UHFFFAOYSA-N
XLogP6.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate (CID 6424625) is 1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate is CCCCCCCCCCCCCCOC(=O)C1CCCN1C(=O)OCC(C)C.
What is the InChIKey of 1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate?
The InChIKey is ZOWQWHJNPRPPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-28-23(26)22-17-16-18-25(22)24(27)29-20-21(2)3/h21-22H,4-20H2,1-3H3.
What are the key properties of 1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate?
1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate has a molecular weight of 411.63 g/mol, XLogP of 6.49, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2-methylpropyl) 2-O-tetradecyl pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 6424625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).