(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide

C11H21F3N2O — CID 61164894

IUPAC(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H21F3N2O/c1-5-6-16(7-11(12,13)14)9(17)8(15)10(2,3)4/h8H,5-7,15H2,1-4H3/t8-/m1/s1
InChIKeyPVVIUNCYIOAABH-MRVPVSSYSA-N
MW254.30 g/mol
LogP2.16
Rot. Bonds4

About (2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide

(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 61164894) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID61164894
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H21F3N2O/c1-5-6-16(7-11(12,13)14)9(17)8(15)10(2,3)4/h8H,5-7,15H2,1-4H3/t8-/m1/s1
InChIKeyPVVIUNCYIOAABH-MRVPVSSYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146661
3,3-dimethyl-2-[propyl(2,2,2-trifluoroethyl)carbamoyl]butanoic acid
CID 116536982
2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide
CID 112555851
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133
2-amino-4-methylsulfonyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60944737
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 103929257
N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60756977
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297
(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61164512
(2R)-2-amino-N-ethyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 103929214
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 61156136
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide
CID 103929250

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide (CID 61164894) is (2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide is CCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is PVVIUNCYIOAABH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-5-6-16(7-11(12,13)14)9(17)8(15)10(2,3)4/h8H,5-7,15H2,1-4H3/t8-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 254.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 61164894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).