(2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide

C15H23FN2O2 — CID 95775397

IUPAC(2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide
SMILESCC(C)C[C@](C)(NCCOc1ccccc1F)C(N)=O
InChIInChI=1S/C15H23FN2O2/c1-11(2)10-15(3,14(17)19)18-8-9-20-13-7-5-4-6-12(13)16/h4-7,11,18H,8-10H2,1-3H3,(H2,17,19)/t15-/m0/s1
InChIKeyNZTIZJYIWLXWQG-HNNXBMFYSA-N
MW282.36 g/mol
LogP2.08
Rot. Bonds8

About (2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide

(2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide (PubChem CID 95775397) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is (2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide
PubChem CID95775397
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name(2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide
SMILESCC(C)C[C@](C)(NCCOc1ccccc1F)C(N)=O
InChIInChI=1S/C15H23FN2O2/c1-11(2)10-15(3,14(17)19)18-8-9-20-13-7-5-4-6-12(13)16/h4-7,11,18H,8-10H2,1-3H3,(H2,17,19)/t15-/m0/s1
InChIKeyNZTIZJYIWLXWQG-HNNXBMFYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide?
The IUPAC name of (2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide (CID 95775397) is (2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide is CC(C)C[C@](C)(NCCOc1ccccc1F)C(N)=O.
What is the InChIKey of (2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide?
The InChIKey is NZTIZJYIWLXWQG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-11(2)10-15(3,14(17)19)18-8-9-20-13-7-5-4-6-12(13)16/h4-7,11,18H,8-10H2,1-3H3,(H2,17,19)/t15-/m0/s1.
What are the key properties of (2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide?
(2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide has a molecular weight of 282.36 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide is sourced from PubChem (CID 95775397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).