N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide

C13H26N2O2 — CID 54568560

IUPACN'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide
SMILESCCC(C(=O)NC(C)C(C)(C)C)C(C)C(N)=O
InChIInChI=1S/C13H26N2O2/c1-7-10(8(2)11(14)16)12(17)15-9(3)13(4,5)6/h8-10H,7H2,1-6H3,(H2,14,16)(H,15,17)
InChIKeyZVOUJQYFGUEUNV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.68
Rot. Bonds5

About N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide

N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide (PubChem CID 54568560) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide.

Molecular Properties

Compound NameN'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide
PubChem CID54568560
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide
SMILESCCC(C(=O)NC(C)C(C)(C)C)C(C)C(N)=O
InChIInChI=1S/C13H26N2O2/c1-7-10(8(2)11(14)16)12(17)15-9(3)13(4,5)6/h8-10H,7H2,1-6H3,(H2,14,16)(H,15,17)
InChIKeyZVOUJQYFGUEUNV-UHFFFAOYSA-N
XLogP1.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide?
The IUPAC name of N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide (CID 54568560) is N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide.
What is the SMILES notation for N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide?
The canonical SMILES for N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide is CCC(C(=O)NC(C)C(C)(C)C)C(C)C(N)=O.
What is the InChIKey of N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide?
The InChIKey is ZVOUJQYFGUEUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-7-10(8(2)11(14)16)12(17)15-9(3)13(4,5)6/h8-10H,7H2,1-6H3,(H2,14,16)(H,15,17).
What are the key properties of N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide?
N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide has a molecular weight of 242.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide is sourced from PubChem (CID 54568560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).