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N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide

C26H52N2O2 — CID 118101175

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide
SMILESCCC(C)(CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C)NC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C26H52N2O2/c1-15-26(14,28-20(30)24(10,11)17-22(5,6)7)18-25(12,13)27-19(29)23(8,9)16-21(2,3)4/h15-18H2,1-14H3,(H,27,29)(H,28,30)
InChIKeyBQXAATXQSSQLIP-UHFFFAOYSA-N
MW424.71 g/mol
LogP6.48
Rot. Bonds9

About N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide

N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide (PubChem CID 118101175) has the molecular formula C26H52N2O2 and a molecular weight of 424.71 g/mol. Its IUPAC name is N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide
PubChem CID118101175
Molecular FormulaC26H52N2O2
Molecular Weight424.71 g/mol
Exact Mass424.40
IUPAC NameN-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide
SMILESCCC(C)(CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C)NC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C26H52N2O2/c1-15-26(14,28-20(30)24(10,11)17-22(5,6)7)18-25(12,13)27-19(29)23(8,9)16-21(2,3)4/h15-18H2,1-14H3,(H,27,29)(H,28,30)
InChIKeyBQXAATXQSSQLIP-UHFFFAOYSA-N
XLogP6.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide?
The IUPAC name of N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide (CID 118101175) is N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide.
What is the SMILES notation for N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide?
The canonical SMILES for N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide is CCC(C)(CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C)NC(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide?
The InChIKey is BQXAATXQSSQLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O2/c1-15-26(14,28-20(30)24(10,11)17-22(5,6)7)18-25(12,13)27-19(29)23(8,9)16-21(2,3)4/h15-18H2,1-14H3,(H,27,29)(H,28,30).
What are the key properties of N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide?
N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide has a molecular weight of 424.71 g/mol, XLogP of 6.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-4-(2,2,4,4-tetramethylpentanoylamino)hexan-2-yl]-2,2,4,4-tetramethylpentanamide is sourced from PubChem (CID 118101175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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