(3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide

C13H18FNO2 — CID 158718442

IUPAC(3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide
SMILESCOC(C)(C)[C@@H](CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-13(2,17-3)11(8-12(15)16)9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3,(H2,15,16)/t11-/m0/s1
InChIKeyIJPOKJXZGOMEPP-NSHDSACASA-N
MW239.29 g/mol
LogP2.21
Rot. Bonds5

About (3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide

(3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide (PubChem CID 158718442) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide
PubChem CID158718442
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide
SMILESCOC(C)(C)[C@@H](CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-13(2,17-3)11(8-12(15)16)9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3,(H2,15,16)/t11-/m0/s1
InChIKeyIJPOKJXZGOMEPP-NSHDSACASA-N
XLogP2.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-4,4-dimethylpentanamide
CID 82080473
3-(4-fluorophenyl)-3-methoxypropanamide
CID 69418867
[(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea
CID 118365136
3-(4-fluorophenyl)-3-(methoxymethoxy)propanamide
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2-(4-fluorophenyl)butanediamide
CID 69053213
(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide
CID 163672048
3-(3,4-difluorophenyl)-4,4-dimethylpentanamide
CID 82084654
3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 82083910
[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate
CID 10332621
2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 94197027
3-(4-fluorophenyl)butanoyl 2,2-dimethylpropanoate
CID 11219324
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide?
The IUPAC name of (3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide (CID 158718442) is (3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide is COC(C)(C)[C@@H](CC(N)=O)c1ccc(F)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide?
The InChIKey is IJPOKJXZGOMEPP-NSHDSACASA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(2,17-3)11(8-12(15)16)9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3,(H2,15,16)/t11-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide?
(3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide has a molecular weight of 239.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide is sourced from PubChem (CID 158718442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).