N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide

C11H23FN2O — CID 163373646

IUPACN-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide
SMILESCNCCC(=O)N(C)C(C)CC(C)(C)F
InChIInChI=1S/C11H23FN2O/c1-9(8-11(2,3)12)14(5)10(15)6-7-13-4/h9,13H,6-8H2,1-5H3
InChIKeyLSXOPPDCQGBATP-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.58
Rot. Bonds6

About N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide

N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide (PubChem CID 163373646) has the molecular formula C11H23FN2O and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide
PubChem CID163373646
Molecular FormulaC11H23FN2O
Molecular Weight218.32 g/mol
Exact Mass218.18
IUPAC NameN-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide
SMILESCNCCC(=O)N(C)C(C)CC(C)(C)F
InChIInChI=1S/C11H23FN2O/c1-9(8-11(2,3)12)14(5)10(15)6-7-13-4/h9,13H,6-8H2,1-5H3
InChIKeyLSXOPPDCQGBATP-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide (CID 163373646) is N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide is CNCCC(=O)N(C)C(C)CC(C)(C)F.
What is the InChIKey of N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide?
The InChIKey is LSXOPPDCQGBATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O/c1-9(8-11(2,3)12)14(5)10(15)6-7-13-4/h9,13H,6-8H2,1-5H3.
What are the key properties of N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide?
N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide has a molecular weight of 218.32 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-4-methylpentan-2-yl)-N-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 163373646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).