(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide

C14H19F3N2O — CID 61164512

IUPAC(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C14H19F3N2O/c1-2-8-19(10-14(15,16)17)13(20)12(18)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,18H2,1H3/t12-/m0/s1
InChIKeyKBOWHUTUVRSPMR-LBPRGKRZSA-N
MW288.31 g/mol
LogP2.36
Rot. Bonds6

About (2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 61164512) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID61164512
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C14H19F3N2O/c1-2-8-19(10-14(15,16)17)13(20)12(18)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,18H2,1H3/t12-/m0/s1
InChIKeyKBOWHUTUVRSPMR-LBPRGKRZSA-N
XLogP2.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60938216
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
(2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61164511
(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146661
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60944737
(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164894
3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119733462
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propylpropanamide
CID 61163358

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (CID 61164512) is (2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is CCCN(CC(F)(F)F)C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KBOWHUTUVRSPMR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-8-19(10-14(15,16)17)13(20)12(18)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10,18H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 288.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 61164512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).