N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide

C28H52N4O2 — CID 70599458

IUPACN,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide
SMILESCCC1(C)CC(NC(=O)C=CC(=O)NC2CC(C)(CC)NC(C)(CC)C2C)C(C)C(C)(CC)N1
InChIInChI=1S/C28H52N4O2/c1-11-25(7)17-21(19(5)27(9,13-3)31-25)29-23(33)15-16-24(34)30-22-18-26(8,12-2)32-28(10,14-4)20(22)6/h15-16,19-22,31-32H,11-14,17-18H2,1-10H3,(H,29,33)(H,30,34)
InChIKeyRUVKBBZZDQMSFC-UHFFFAOYSA-N
MW476.75 g/mol
LogP4.45
Rot. Bonds8

About N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide

N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide (PubChem CID 70599458) has the molecular formula C28H52N4O2 and a molecular weight of 476.75 g/mol. Its IUPAC name is N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide.

Molecular Properties

Compound NameN,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide
PubChem CID70599458
Molecular FormulaC28H52N4O2
Molecular Weight476.75 g/mol
Exact Mass476.41
IUPAC NameN,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide
SMILESCCC1(C)CC(NC(=O)C=CC(=O)NC2CC(C)(CC)NC(C)(CC)C2C)C(C)C(C)(CC)N1
InChIInChI=1S/C28H52N4O2/c1-11-25(7)17-21(19(5)27(9,13-3)31-25)29-23(33)15-16-24(34)30-22-18-26(8,12-2)32-28(10,14-4)20(22)6/h15-16,19-22,31-32H,11-14,17-18H2,1-10H3,(H,29,33)(H,30,34)
InChIKeyRUVKBBZZDQMSFC-UHFFFAOYSA-N
XLogP4.45
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.75
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide?
The IUPAC name of N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide (CID 70599458) is N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide.
What is the SMILES notation for N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide?
The canonical SMILES for N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide is CCC1(C)CC(NC(=O)C=CC(=O)NC2CC(C)(CC)NC(C)(CC)C2C)C(C)C(C)(CC)N1.
What is the InChIKey of N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide?
The InChIKey is RUVKBBZZDQMSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N4O2/c1-11-25(7)17-21(19(5)27(9,13-3)31-25)29-23(33)15-16-24(34)30-22-18-26(8,12-2)32-28(10,14-4)20(22)6/h15-16,19-22,31-32H,11-14,17-18H2,1-10H3,(H,29,33)(H,30,34).
What are the key properties of N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide?
N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide has a molecular weight of 476.75 g/mol, XLogP of 4.45, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enediamide is sourced from PubChem (CID 70599458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).