2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide

C20H40N2O2 — CID 89255064

IUPAC2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide
SMILESCCC(C)C(=O)NCCC(C)CC(C)(C)CNC(=O)C(C)(C)CC
InChIInChI=1S/C20H40N2O2/c1-9-16(4)17(23)21-12-11-15(3)13-19(5,6)14-22-18(24)20(7,8)10-2/h15-16H,9-14H2,1-8H3,(H,21,23)(H,22,24)
InChIKeyZQSOKOWLGDLQHO-UHFFFAOYSA-N
MW340.55 g/mol
LogP4.14
Rot. Bonds11

About 2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide

2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide (PubChem CID 89255064) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide
PubChem CID89255064
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC Name2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide
SMILESCCC(C)C(=O)NCCC(C)CC(C)(C)CNC(=O)C(C)(C)CC
InChIInChI=1S/C20H40N2O2/c1-9-16(4)17(23)21-12-11-15(3)13-19(5,6)14-22-18(24)20(7,8)10-2/h15-16H,9-14H2,1-8H3,(H,21,23)(H,22,24)
InChIKeyZQSOKOWLGDLQHO-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide (CID 89255064) is 2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide is CCC(C)C(=O)NCCC(C)CC(C)(C)CNC(=O)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide?
The InChIKey is ZQSOKOWLGDLQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-9-16(4)17(23)21-12-11-15(3)13-19(5,6)14-22-18(24)20(7,8)10-2/h15-16H,9-14H2,1-8H3,(H,21,23)(H,22,24).
What are the key properties of 2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide?
2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide has a molecular weight of 340.55 g/mol, XLogP of 4.14, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2,2,4-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide is sourced from PubChem (CID 89255064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).