(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide

C12H22F3N3O2 — CID 61164150

IUPAC(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c1-8(2)5-9(16)11(20)18(7-12(13,14)15)6-10(19)17(3)4/h8-9H,5-7,16H2,1-4H3/t9-/m0/s1
InChIKeySEJHNXRNWICSCV-VIFPVBQESA-N
MW297.32 g/mol
LogP0.84
Rot. Bonds6

About (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide

(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 61164150) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID61164150
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O2/c1-8(2)5-9(16)11(20)18(7-12(13,14)15)6-10(19)17(3)4/h8-9H,5-7,16H2,1-4H3/t9-/m0/s1
InChIKeySEJHNXRNWICSCV-VIFPVBQESA-N
XLogP0.84
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 61164150) is (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide is CC(C)C[C@H](N)C(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is SEJHNXRNWICSCV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22F3N3O2/c1-8(2)5-9(16)11(20)18(7-12(13,14)15)6-10(19)17(3)4/h8-9H,5-7,16H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide?
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 297.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 61164150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).