4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide

C26H49N3O3 — CID 129255114

IUPAC4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide
SMILESCCC(C)(CC(C)(CC(C)N1CCCC1=O)C(=O)N(C)C)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C26H49N3O3/c1-12-25(8,21(31)27-24(6,7)17-23(3,4)5)18-26(9,22(32)28(10)11)16-19(2)29-15-13-14-20(29)30/h19H,12-18H2,1-11H3,(H,27,31)
InChIKeyQGAUKBYTPSJFFR-UHFFFAOYSA-N
MW451.70 g/mol
LogP4.62
Rot. Bonds10

About 4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide

4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide (PubChem CID 129255114) has the molecular formula C26H49N3O3 and a molecular weight of 451.70 g/mol. Its IUPAC name is 4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide.

Molecular Properties

Compound Name4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide
PubChem CID129255114
Molecular FormulaC26H49N3O3
Molecular Weight451.70 g/mol
Exact Mass451.38
IUPAC Name4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide
SMILESCCC(C)(CC(C)(CC(C)N1CCCC1=O)C(=O)N(C)C)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C26H49N3O3/c1-12-25(8,21(31)27-24(6,7)17-23(3,4)5)18-26(9,22(32)28(10)11)16-19(2)29-15-13-14-20(29)30/h19H,12-18H2,1-11H3,(H,27,31)
InChIKeyQGAUKBYTPSJFFR-UHFFFAOYSA-N
XLogP4.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.70
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide?
The IUPAC name of 4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide (CID 129255114) is 4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide.
What is the SMILES notation for 4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide?
The canonical SMILES for 4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide is CCC(C)(CC(C)(CC(C)N1CCCC1=O)C(=O)N(C)C)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide?
The InChIKey is QGAUKBYTPSJFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N3O3/c1-12-25(8,21(31)27-24(6,7)17-23(3,4)5)18-26(9,22(32)28(10)11)16-19(2)29-15-13-14-20(29)30/h19H,12-18H2,1-11H3,(H,27,31).
What are the key properties of 4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide?
4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide has a molecular weight of 451.70 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide is sourced from PubChem (CID 129255114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).