(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide

C14H21FN2O2 — CID 93368341

IUPAC(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-3-6-12(16)14(18)17(2)9-10-19-13-8-5-4-7-11(13)15/h4-5,7-8,12H,3,6,9-10,16H2,1-2H3/t12-/m0/s1
InChIKeyMVTZRNUBWBVCNM-LBPRGKRZSA-N
MW268.33 g/mol
LogP1.79
Rot. Bonds7

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

(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide (PubChem CID 93368341) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
PubChem CID93368341
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-3-6-12(16)14(18)17(2)9-10-19-13-8-5-4-7-11(13)15/h4-5,7-8,12H,3,6,9-10,16H2,1-2H3/t12-/m0/s1
InChIKeyMVTZRNUBWBVCNM-LBPRGKRZSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 54869691
(2R)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpentanamide
CID 93368335
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide
CID 119298348
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119298347
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
CID 43650342
(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
CID 93367597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide (CID 93368341) is (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide is CCC[C@H](N)C(=O)N(C)CCOc1ccccc1F.
What is the InChIKey of (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide?
The InChIKey is MVTZRNUBWBVCNM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-6-12(16)14(18)17(2)9-10-19-13-8-5-4-7-11(13)15/h4-5,7-8,12H,3,6,9-10,16H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide?
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide has a molecular weight of 268.33 g/mol, XLogP of 1.79, 7 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-(2-fluorophenoxy)ethyl]-N-methylpentanamide is sourced from PubChem (CID 93368341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).