1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide

C35H67N7O3 — CID 138724107

IUPAC1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide
SMILESCN1C(C)(C)CC(C(=O)NCCN(CCNC(=O)C2CC(C)(C)NC2(C)C)CCNC(=O)C2CC(C)(C)N(C)C2(C)C)C1(C)C
InChIInChI=1S/C35H67N7O3/c1-30(2)21-24(33(7,8)39-30)27(43)36-15-18-42(19-16-37-28(44)25-22-31(3,4)40(13)34(25,9)10)20-17-38-29(45)26-23-32(5,6)41(14)35(26,11)12/h24-26,39H,15-23H2,1-14H3,(H,36,43)(H,37,44)(H,38,45)
InChIKeyPQGWOFWBYMSOFX-UHFFFAOYSA-N
MW633.97 g/mol
LogP2.82
Rot. Bonds12

About 1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide

1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide (PubChem CID 138724107) has the molecular formula C35H67N7O3 and a molecular weight of 633.97 g/mol. Its IUPAC name is 1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide
PubChem CID138724107
Molecular FormulaC35H67N7O3
Molecular Weight633.97 g/mol
Exact Mass633.53
IUPAC Name1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide
SMILESCN1C(C)(C)CC(C(=O)NCCN(CCNC(=O)C2CC(C)(C)NC2(C)C)CCNC(=O)C2CC(C)(C)N(C)C2(C)C)C1(C)C
InChIInChI=1S/C35H67N7O3/c1-30(2)21-24(33(7,8)39-30)27(43)36-15-18-42(19-16-37-28(44)25-22-31(3,4)40(13)34(25,9)10)20-17-38-29(45)26-23-32(5,6)41(14)35(26,11)12/h24-26,39H,15-23H2,1-14H3,(H,36,43)(H,37,44)(H,38,45)
InChIKeyPQGWOFWBYMSOFX-UHFFFAOYSA-N
XLogP2.82
TPSA109.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.97
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide (CID 138724107) is 1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide is CN1C(C)(C)CC(C(=O)NCCN(CCNC(=O)C2CC(C)(C)NC2(C)C)CCNC(=O)C2CC(C)(C)N(C)C2(C)C)C1(C)C.
What is the InChIKey of 1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is PQGWOFWBYMSOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H67N7O3/c1-30(2)21-24(33(7,8)39-30)27(43)36-15-18-42(19-16-37-28(44)25-22-31(3,4)40(13)34(25,9)10)20-17-38-29(45)26-23-32(5,6)41(14)35(26,11)12/h24-26,39H,15-23H2,1-14H3,(H,36,43)(H,37,44)(H,38,45).
What are the key properties of 1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide?
1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 633.97 g/mol, XLogP of 2.82, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 138724107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).