N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide

C32H60N4O2 — CID 54526430

IUPACN,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide
SMILESCCCCN(C(=O)C=CC(=O)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C32H60N4O2/c1-13-15-19-35(25-21-29(3,4)33(11)30(5,6)22-25)27(37)17-18-28(38)36(20-16-14-2)26-23-31(7,8)34(12)32(9,10)24-26/h17-18,25-26H,13-16,19-24H2,1-12H3
InChIKeyYTLAEPSIRZTANH-UHFFFAOYSA-N
MW532.86 g/mol
LogP6.10
Rot. Bonds10

About N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide

N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide (PubChem CID 54526430) has the molecular formula C32H60N4O2 and a molecular weight of 532.86 g/mol. Its IUPAC name is N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide.

Molecular Properties

Compound NameN,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide
PubChem CID54526430
Molecular FormulaC32H60N4O2
Molecular Weight532.86 g/mol
Exact Mass532.47
IUPAC NameN,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide
SMILESCCCCN(C(=O)C=CC(=O)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C32H60N4O2/c1-13-15-19-35(25-21-29(3,4)33(11)30(5,6)22-25)27(37)17-18-28(38)36(20-16-14-2)26-23-31(7,8)34(12)32(9,10)24-26/h17-18,25-26H,13-16,19-24H2,1-12H3
InChIKeyYTLAEPSIRZTANH-UHFFFAOYSA-N
XLogP6.10
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.86
LogP ≤ 56.10
H-Bond Donors ≤ 50
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'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide?
The IUPAC name of N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide (CID 54526430) is N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide.
What is the SMILES notation for N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide?
The canonical SMILES for N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide is CCCCN(C(=O)C=CC(=O)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide?
The InChIKey is YTLAEPSIRZTANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N4O2/c1-13-15-19-35(25-21-29(3,4)33(11)30(5,6)22-25)27(37)17-18-28(38)36(20-16-14-2)26-23-31(7,8)34(12)32(9,10)24-26/h17-18,25-26H,13-16,19-24H2,1-12H3.
What are the key properties of N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide?
N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide has a molecular weight of 532.86 g/mol, XLogP of 6.10, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)but-2-enediamide is sourced from PubChem (CID 54526430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).