N-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide

C22H44N2O2 — CID 88990192

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

About N-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide

N-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide (PubChem CID 88990192) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is N-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide.

Molecular Properties

Compound NameN-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide
PubChem CID88990192
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC NameN-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide
SMILESCCC(C)(C)C(=O)NCC(C)(C)CC(C)CCNC(=O)C(C)(CC)CC
InChIInChI=1S/C22H44N2O2/c1-10-21(7,8)18(25)24-16-20(5,6)15-17(4)13-14-23-19(26)22(9,11-2)12-3/h17H,10-16H2,1-9H3,(H,23,26)(H,24,25)
InChIKeyDWDRRXLHMPIFCM-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)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide?
The IUPAC name of N-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide (CID 88990192) is N-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide.
What is the SMILES notation for N-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide?
The canonical SMILES for N-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide is CCC(C)(C)C(=O)NCC(C)(C)CC(C)CCNC(=O)C(C)(CC)CC.
What is the InChIKey of N-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide?
The InChIKey is DWDRRXLHMPIFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-10-21(7,8)18(25)24-16-20(5,6)15-17(4)13-14-23-19(26)22(9,11-2)12-3/h17H,10-16H2,1-9H3,(H,23,26)(H,24,25).
What are the key properties of N-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide?
N-[6-(2,2-dimethylbutanoylamino)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide 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)-3,5,5-trimethylhexyl]-2-ethyl-2-methylbutanamide is sourced from PubChem (CID 88990192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).