2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide

C11H20F3N3O2 — CID 54871547

IUPAC2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide
SMILESCCCCC(N)C(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-3-4-5-8(15)10(19)17(2)6-9(18)16-7-11(12,13)14/h8H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyZCGSITUABUCYKP-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.64
Rot. Bonds7

About 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide

2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide (PubChem CID 54871547) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide
PubChem CID54871547
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide
SMILESCCCCC(N)C(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-3-4-5-8(15)10(19)17(2)6-9(18)16-7-11(12,13)14/h8H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyZCGSITUABUCYKP-UHFFFAOYSA-N
XLogP0.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-methyl-4-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 61165285
3-amino-4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-4-oxobutanoic acid
CID 64894367
2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 81082824
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide
CID 54873029
(2R)-2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide
CID 103795683
2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-3-oxopropanoic acid
CID 114897590
(2R)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
CID 107570541
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
CID 64890082
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide
CID 103832738
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 62472504

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide?
The IUPAC name of 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide (CID 54871547) is 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide?
The canonical SMILES for 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide is CCCCC(N)C(=O)N(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide?
The InChIKey is ZCGSITUABUCYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-3-4-5-8(15)10(19)17(2)6-9(18)16-7-11(12,13)14/h8H,3-7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide?
2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide has a molecular weight of 283.29 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide is sourced from PubChem (CID 54871547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).