2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide

C19H38N2O2 — CID 126517018

IUPAC2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide
SMILESCCC(C)C(=O)NCCC(C)CC(C)(C)CNC(=O)C(C)CC
InChIInChI=1S/C19H38N2O2/c1-8-15(4)17(22)20-11-10-14(3)12-19(6,7)13-21-18(23)16(5)9-2/h14-16H,8-13H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyIFBQODBRPWFKGP-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.75
Rot. Bonds11

About 2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide

2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide (PubChem CID 126517018) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide
PubChem CID126517018
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide
SMILESCCC(C)C(=O)NCCC(C)CC(C)(C)CNC(=O)C(C)CC
InChIInChI=1S/C19H38N2O2/c1-8-15(4)17(22)20-11-10-14(3)12-19(6,7)13-21-18(23)16(5)9-2/h14-16H,8-13H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyIFBQODBRPWFKGP-UHFFFAOYSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide?
The IUPAC name of 2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide (CID 126517018) is 2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide.
What is the SMILES notation for 2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide?
The canonical SMILES for 2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide is CCC(C)C(=O)NCCC(C)CC(C)(C)CNC(=O)C(C)CC.
What is the InChIKey of 2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide?
The InChIKey is IFBQODBRPWFKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-8-15(4)17(22)20-11-10-14(3)12-19(6,7)13-21-18(23)16(5)9-2/h14-16H,8-13H2,1-7H3,(H,20,22)(H,21,23).
What are the key properties of 2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide?
2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide has a molecular weight of 326.53 g/mol, XLogP of 3.75, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3,5,5-trimethyl-6-(2-methylbutanoylamino)hexyl]butanamide is sourced from PubChem (CID 126517018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).