(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide

C15H23FN2O2 — CID 103831117

IUPAC(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-3-4-5-14(17)15(19)18(2)10-11-20-13-8-6-12(16)7-9-13/h6-9,14H,3-5,10-11,17H2,1-2H3/t14-/m0/s1
InChIKeyXTUPWVCNZOUCRO-AWEZNQCLSA-N
MW282.36 g/mol
LogP2.18
Rot. Bonds8

About (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide

(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide (PubChem CID 103831117) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
PubChem CID103831117
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-3-4-5-14(17)15(19)18(2)10-11-20-13-8-6-12(16)7-9-13/h6-9,14H,3-5,10-11,17H2,1-2H3/t14-/m0/s1
InChIKeyXTUPWVCNZOUCRO-AWEZNQCLSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831526
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 119956183
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide
CID 60946640
(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
CID 93367597
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274352
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
CID 119695322
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368341
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119306190

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide (CID 103831117) is (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide is CCCC[C@H](N)C(=O)N(C)CCOc1ccc(F)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide?
The InChIKey is XTUPWVCNZOUCRO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-3-4-5-14(17)15(19)18(2)10-11-20-13-8-6-12(16)7-9-13/h6-9,14H,3-5,10-11,17H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide?
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide has a molecular weight of 282.36 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide is sourced from PubChem (CID 103831117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).