(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide

C13H25F3N2O — CID 93372320

IUPAC(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H25F3N2O/c1-5-10(6-2)18(8-13(14,15)16)12(19)11(17)7-9(3)4/h9-11H,5-8,17H2,1-4H3/t11-/m1/s1
InChIKeyFUTFNIUHLAGNTJ-LLVKDONJSA-N
MW282.35 g/mol
LogP2.94
Rot. Bonds7

About (2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide

(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 93372320) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID93372320
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H25F3N2O/c1-5-10(6-2)18(8-13(14,15)16)12(19)11(17)7-9(3)4/h9-11H,5-8,17H2,1-4H3/t11-/m1/s1
InChIKeyFUTFNIUHLAGNTJ-LLVKDONJSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 62474315
2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 54872172
2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 64592028
(2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide
CID 54999112
(2R)-2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 104903332
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024502
(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide
CID 104902610
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55122690
ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 64591828
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 61164150
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide (CID 93372320) is (2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide is CCC(CC)N(CC(F)(F)F)C(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is FUTFNIUHLAGNTJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-5-10(6-2)18(8-13(14,15)16)12(19)11(17)7-9(3)4/h9-11H,5-8,17H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide?
(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 282.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 93372320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).