N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide

C11H23FN2O2 — CID 21304561

IUPACN-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide
SMILESCCC(NC(=O)C(NC)C(C)C)C(O)CF
InChIInChI=1S/C11H23FN2O2/c1-5-8(9(15)6-12)14-11(16)10(13-4)7(2)3/h7-10,13,15H,5-6H2,1-4H3,(H,14,16)
InChIKeyXFBCRNLAEJBBDC-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.46
Rot. Bonds7

About N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide

N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide (PubChem CID 21304561) has the molecular formula C11H23FN2O2 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound NameN-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide
PubChem CID21304561
Molecular FormulaC11H23FN2O2
Molecular Weight234.31 g/mol
Exact Mass234.17
IUPAC NameN-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide
SMILESCCC(NC(=O)C(NC)C(C)C)C(O)CF
InChIInChI=1S/C11H23FN2O2/c1-5-8(9(15)6-12)14-11(16)10(13-4)7(2)3/h7-10,13,15H,5-6H2,1-4H3,(H,14,16)
InChIKeyXFBCRNLAEJBBDC-UHFFFAOYSA-N
XLogP0.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide?
The IUPAC name of N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide (CID 21304561) is N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide.
What is the SMILES notation for N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide?
The canonical SMILES for N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide is CCC(NC(=O)C(NC)C(C)C)C(O)CF.
What is the InChIKey of N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide?
The InChIKey is XFBCRNLAEJBBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O2/c1-5-8(9(15)6-12)14-11(16)10(13-4)7(2)3/h7-10,13,15H,5-6H2,1-4H3,(H,14,16).
What are the key properties of N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide?
N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide has a molecular weight of 234.31 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-hydroxypentan-3-yl)-3-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 21304561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).