(2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide

C14H19F3N2O — CID 61164511

IUPAC(2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H19F3N2O/c1-2-3-9-19(10-14(15,16)17)13(20)12(18)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10,18H2,1H3/t12-/m1/s1
InChIKeyULNIOLNEGIKXOW-GFCCVEGCSA-N
MW288.31 g/mol
LogP2.88
Rot. Bonds6

About (2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide

(2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61164511) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is (2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61164511
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name(2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H19F3N2O/c1-2-3-9-19(10-14(15,16)17)13(20)12(18)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10,18H2,1H3/t12-/m1/s1
InChIKeyULNIOLNEGIKXOW-GFCCVEGCSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119733462
2-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 54870866
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
CID 60946442
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297
2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 106312218
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133
2-amino-N-butan-2-yl-N-butyl-2-phenylacetamide
CID 54870822
(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61164512
3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 80552219
4-[butyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497733
N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107358308
2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of (2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide (CID 61164511) is (2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for (2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for (2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)[C@H](N)c1ccccc1.
What is the InChIKey of (2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ULNIOLNEGIKXOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-3-9-19(10-14(15,16)17)13(20)12(18)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10,18H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
(2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61164511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).