2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide

C26H52N2O2 — CID 90070956

IUPAC2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide
SMILESCCC(C)(C)CC(C)(CC)C(=O)NC(C)(C)CC(C)(CC)NC(=O)C(C)(CC)CC
InChIInChI=1S/C26H52N2O2/c1-13-22(6,7)18-25(11,16-4)21(30)27-23(8,9)19-26(12,17-5)28-20(29)24(10,14-2)15-3/h13-19H2,1-12H3,(H,27,30)(H,28,29)
InChIKeyCFTPIVBSQZLUCL-UHFFFAOYSA-N
MW424.71 g/mol
LogP6.63
Rot. Bonds13

About 2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide

2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide (PubChem CID 90070956) has the molecular formula C26H52N2O2 and a molecular weight of 424.71 g/mol. Its IUPAC name is 2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide
PubChem CID90070956
Molecular FormulaC26H52N2O2
Molecular Weight424.71 g/mol
Exact Mass424.40
IUPAC Name2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide
SMILESCCC(C)(C)CC(C)(CC)C(=O)NC(C)(C)CC(C)(CC)NC(=O)C(C)(CC)CC
InChIInChI=1S/C26H52N2O2/c1-13-22(6,7)18-25(11,16-4)21(30)27-23(8,9)19-26(12,17-5)28-20(29)24(10,14-2)15-3/h13-19H2,1-12H3,(H,27,30)(H,28,29)
InChIKeyCFTPIVBSQZLUCL-UHFFFAOYSA-N
XLogP6.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide?
The IUPAC name of 2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide (CID 90070956) is 2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide.
What is the SMILES notation for 2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide?
The canonical SMILES for 2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide is CCC(C)(C)CC(C)(CC)C(=O)NC(C)(C)CC(C)(CC)NC(=O)C(C)(CC)CC.
What is the InChIKey of 2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide?
The InChIKey is CFTPIVBSQZLUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O2/c1-13-22(6,7)18-25(11,16-4)21(30)27-23(8,9)19-26(12,17-5)28-20(29)24(10,14-2)15-3/h13-19H2,1-12H3,(H,27,30)(H,28,29).
What are the key properties of 2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide?
2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide has a molecular weight of 424.71 g/mol, XLogP of 6.63, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[(2-ethyl-2-methylbutanoyl)amino]-2,4-dimethylhexan-2-yl]-2,4,4-trimethylhexanamide is sourced from PubChem (CID 90070956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).