(3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide

C37H66N6O9 — CID 134402047

IUPAC(3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide
SMILESC=C1CC(C(C)(C)C)C(=O)N1Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCNC(=O)N2CC[C@H](C(C)(C)C)C2)nn1
InChIInChI=1S/C37H66N6O9/c1-30-26-33(37(5,6)7)34(44)43(30)29-32-28-42(40-39-32)11-13-47-15-17-49-19-21-51-23-25-52-24-22-50-20-18-48-16-14-46-12-9-38-35(45)41-10-8-31(27-41)36(2,3)4/h28,31,33H,1,8-27,29H2,2-7H3,(H,38,45)/t31-,33?/m0/s1
InChIKeyNNMAZLKSAFJCSH-MOJIJOCKSA-N
MW738.97 g/mol
LogP3.38
Rot. Bonds26

About (3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide

(3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide (PubChem CID 134402047) has the molecular formula C37H66N6O9 and a molecular weight of 738.97 g/mol. Its IUPAC name is (3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide
PubChem CID134402047
Molecular FormulaC37H66N6O9
Molecular Weight738.97 g/mol
Exact Mass738.49
IUPAC Name(3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide
SMILESC=C1CC(C(C)(C)C)C(=O)N1Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCNC(=O)N2CC[C@H](C(C)(C)C)C2)nn1
InChIInChI=1S/C37H66N6O9/c1-30-26-33(37(5,6)7)34(44)43(30)29-32-28-42(40-39-32)11-13-47-15-17-49-19-21-51-23-25-52-24-22-50-20-18-48-16-14-46-12-9-38-35(45)41-10-8-31(27-41)36(2,3)4/h28,31,33H,1,8-27,29H2,2-7H3,(H,38,45)/t31-,33?/m0/s1
InChIKeyNNMAZLKSAFJCSH-MOJIJOCKSA-N
XLogP3.38
TPSA147.97 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.97
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide (CID 134402047) is (3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide is C=C1CC(C(C)(C)C)C(=O)N1Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCNC(=O)N2CC[C@H](C(C)(C)C)C2)nn1.
What is the InChIKey of (3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is NNMAZLKSAFJCSH-MOJIJOCKSA-N. The full InChI is InChI=1S/C37H66N6O9/c1-30-26-33(37(5,6)7)34(44)43(30)29-32-28-42(40-39-32)11-13-47-15-17-49-19-21-51-23-25-52-24-22-50-20-18-48-16-14-46-12-9-38-35(45)41-10-8-31(27-41)36(2,3)4/h28,31,33H,1,8-27,29H2,2-7H3,(H,38,45)/t31-,33?/m0/s1.
What are the key properties of (3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide?
(3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 738.97 g/mol, XLogP of 3.38, 26 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tert-butyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-tert-butyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 134402047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).