2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate

C110H179N7O13 — CID 158048646

About 2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate

2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate (PubChem CID 158048646) has the molecular formula C110H179N7O13 and a molecular weight of 1807.68 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate.

Molecular Properties

• Compound Name: 2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
• PubChem CID: 158048646
• Molecular Formula: C110H179N7O13
• Molecular Weight: 1807.68 g/mol
• Exact Mass: 1806.36
• IUPAC Name: 2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
• SMILES: CCCc1ccc(-c2ccc(OCCOC(=O)C3CC(C)(C)N(C)C3(C)C)cc2)cc1.CCOc1ccc(-c2ccc(OCCOC(=O)C3CC(C)(C)N(C)C3(C)C)cc2)cc1.CN1C(C)(C)CC(C(=O)CCCCCCCCCNC(=O)C2CC(C)(C)N(C)C2(C)C)C1(C)C.CN1C(C)(C)CC(C(=O)OCCCCCCCCOC(=O)C2CC(C)(C)N(C)C2(C)C)C1(C)C
• InChI: InChI=1S/C29H55N3O2.C28H52N2O4.C27H37NO3.C26H35NO4/c1-26(2)20-22(28(5,6)31(26)9)24(33)18-16-14-12-11-13-15-17-19-30-25(34)23-21-27(3,4)32(10)29(23,7)8;1-25(2)19-21(27(5,6)29(25)9)23(31)33-17-15-13-11-12-14-16-18-34-24(32)22-20-26(3,4)30(10)28(22,7)8;1-7-8-20-9-11-21(12-10-20)22-13-15-23(16-14-22)30-17-18-31-25(29)24-19-26(2,3)28(6)27(24,4)5;1-7-29-21-12-8-19(9-13-21)20-10-14-22(15-11-20)30-16-17-31-24(28)23-18-25(2,3)27(6)26(23,4)5/h22-23H,11-21H2,1-10H3,(H,30,34);21-22H,11-20H2,1-10H3;9-16,24H,7-8,17-19H2,1-6H3;8-15,23H,7,16-18H2,1-6H3
• InChIKey: FJFFDGVYGSFHBV-UHFFFAOYSA-N
• XLogP: 22.16
• TPSA: 198.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 39
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1807.68
LogP ≤ 5	22.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?

The IUPAC name of 2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate (CID 158048646) is 2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate.

What is the SMILES notation for 2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?

The canonical SMILES for 2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate is CCCc1ccc(-c2ccc(OCCOC(=O)C3CC(C)(C)N(C)C3(C)C)cc2)cc1.CCOc1ccc(-c2ccc(OCCOC(=O)C3CC(C)(C)N(C)C3(C)C)cc2)cc1.CN1C(C)(C)CC(C(=O)CCCCCCCCCNC(=O)C2CC(C)(C)N(C)C2(C)C)C1(C)C.CN1C(C)(C)CC(C(=O)OCCCCCCCCOC(=O)C2CC(C)(C)N(C)C2(C)C)C1(C)C.

What is the InChIKey of 2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?

The InChIKey is FJFFDGVYGSFHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55N3O2.C28H52N2O4.C27H37NO3.C26H35NO4/c1-26(2)20-22(28(5,6)31(26)9)24(33)18-16-14-12-11-13-15-17-19-30-25(34)23-21-27(3,4)32(10)29(23,7)8;1-25(2)19-21(27(5,6)29(25)9)23(31)33-17-15-13-11-12-14-16-18-34-24(32)22-20-26(3,4)30(10)28(22,7)8;1-7-8-20-9-11-21(12-10-20)22-13-15-23(16-14-22)30-17-18-31-25(29)24-19-26(2,3)28(6)27(24,4)5;1-7-29-21-12-8-19(9-13-21)20-10-14-22(15-11-20)30-16-17-31-24(28)23-18-25(2,3)27(6)26(23,4)5/h22-23H,11-21H2,1-10H3,(H,30,34);21-22H,11-20H2,1-10H3;9-16,24H,7-8,17-19H2,1-6H3;8-15,23H,7,16-18H2,1-6H3.

What are the key properties of 2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?

2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate has a molecular weight of 1807.68 g/mol, XLogP of 22.16, 39 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-ethoxyphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;1,2,2,5,5-pentamethyl-N-[10-oxo-10-(1,2,2,5,5-pentamethylpyrrolidin-3-yl)decyl]pyrrolidine-3-carboxamide;8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-(4-propylphenyl)phenoxy]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 158048646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).