(2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide

C14H19F3N2O2 — CID 103831151

IUPAC(2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-2-3-4-12(18)13(20)19-10-5-7-11(8-6-10)21-9-14(15,16)17/h5-8,12H,2-4,9,18H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyQQASCDCUEKGDEF-LBPRGKRZSA-N
MW304.31 g/mol
LogP3.08
Rot. Bonds7

About (2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide

(2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide (PubChem CID 103831151) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide
PubChem CID103831151
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name(2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-2-3-4-12(18)13(20)19-10-5-7-11(8-6-10)21-9-14(15,16)17/h5-8,12H,2-4,9,18H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyQQASCDCUEKGDEF-LBPRGKRZSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 134026710
methyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate
CID 103831481
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 60705257
N-heptan-3-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 63944718
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide
CID 60852209
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802
ethyl 4-[[(2S)-2-aminohexanoyl]amino]benzoate
CID 103830868
2-amino-N-[4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119289402
(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
CID 103830950
N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55606042
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide (CID 103831151) is (2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide is CCCC[C@H](N)C(=O)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide?
The InChIKey is QQASCDCUEKGDEF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-2-3-4-12(18)13(20)19-10-5-7-11(8-6-10)21-9-14(15,16)17/h5-8,12H,2-4,9,18H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide?
(2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide has a molecular weight of 304.31 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide is sourced from PubChem (CID 103831151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).