N-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide

C22H44N2O2 — CID 89255101

IUPACN-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)NCC(C)(C)CC(C)CCNC(=O)C(C)(C)CC
InChIInChI=1S/C22H44N2O2/c1-10-13-22(8,9)19(26)24-16-20(4,5)15-17(3)12-14-23-18(25)21(6,7)11-2/h17H,10-16H2,1-9H3,(H,23,25)(H,24,26)
InChIKeyJHHNLRDALANOLX-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.92
Rot. Bonds12

About N-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide

N-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide (PubChem CID 89255101) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is N-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide
PubChem CID89255101
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC NameN-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)NCC(C)(C)CC(C)CCNC(=O)C(C)(C)CC
InChIInChI=1S/C22H44N2O2/c1-10-13-22(8,9)19(26)24-16-20(4,5)15-17(3)12-14-23-18(25)21(6,7)11-2/h17H,10-16H2,1-9H3,(H,23,25)(H,24,26)
InChIKeyJHHNLRDALANOLX-UHFFFAOYSA-N
XLogP4.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide?
The IUPAC name of N-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide (CID 89255101) is N-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide.
What is the SMILES notation for N-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide?
The canonical SMILES for N-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide is CCCC(C)(C)C(=O)NCC(C)(C)CC(C)CCNC(=O)C(C)(C)CC.
What is the InChIKey of N-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide?
The InChIKey is JHHNLRDALANOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-10-13-22(8,9)19(26)24-16-20(4,5)15-17(3)12-14-23-18(25)21(6,7)11-2/h17H,10-16H2,1-9H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide?
N-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide has a molecular weight of 368.61 g/mol, XLogP of 4.92, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-dimethylbutanoylamino)-2,2,4-trimethylhexyl]-2,2-dimethylpentanamide is sourced from PubChem (CID 89255101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).