(5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide

C20H38F3NO2 — CID 126716893

IUPAC(5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide
SMILESCCCCC(C)(C)CNC(=O)CCC(C)[C@@](CO)(CCCC)C(F)(F)F
InChIInChI=1S/C20H38F3NO2/c1-6-8-12-18(4,5)14-24-17(26)11-10-16(3)19(15-25,13-9-7-2)20(21,22)23/h16,25H,6-15H2,1-5H3,(H,24,26)/t16?,19-/m0/s1
InChIKeyRGWVLVRYDHVCBC-CVMIBEPCSA-N
MW381.52 g/mol
LogP5.47
Rot. Bonds13

About (5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide

(5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide (PubChem CID 126716893) has the molecular formula C20H38F3NO2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide.

Molecular Properties

Compound Name(5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide
PubChem CID126716893
Molecular FormulaC20H38F3NO2
Molecular Weight381.52 g/mol
Exact Mass381.29
IUPAC Name(5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide
SMILESCCCCC(C)(C)CNC(=O)CCC(C)[C@@](CO)(CCCC)C(F)(F)F
InChIInChI=1S/C20H38F3NO2/c1-6-8-12-18(4,5)14-24-17(26)11-10-16(3)19(15-25,13-9-7-2)20(21,22)23/h16,25H,6-15H2,1-5H3,(H,24,26)/t16?,19-/m0/s1
InChIKeyRGWVLVRYDHVCBC-CVMIBEPCSA-N
XLogP5.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide?
The IUPAC name of (5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide (CID 126716893) is (5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide.
What is the SMILES notation for (5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide?
The canonical SMILES for (5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide is CCCCC(C)(C)CNC(=O)CCC(C)[C@@](CO)(CCCC)C(F)(F)F.
What is the InChIKey of (5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide?
The InChIKey is RGWVLVRYDHVCBC-CVMIBEPCSA-N. The full InChI is InChI=1S/C20H38F3NO2/c1-6-8-12-18(4,5)14-24-17(26)11-10-16(3)19(15-25,13-9-7-2)20(21,22)23/h16,25H,6-15H2,1-5H3,(H,24,26)/t16?,19-/m0/s1.
What are the key properties of (5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide?
(5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide has a molecular weight of 381.52 g/mol, XLogP of 5.47, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide is sourced from PubChem (CID 126716893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).