(2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide

C11H20F3N3O2 — CID 97237748

IUPAC(2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide
SMILESCNC(=O)[C@@H](C)CN(C)[C@@H](C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-7(9(18)15-3)5-17(4)8(2)10(19)16-6-11(12,13)14/h7-8H,5-6H2,1-4H3,(H,15,18)(H,16,19)/t7-,8-/m0/s1
InChIKeyBBEAQNFQBMDESV-YUMQZZPRSA-N
MW283.29 g/mol
LogP0.37
Rot. Bonds6

About (2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide

(2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide (PubChem CID 97237748) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide
PubChem CID97237748
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name(2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide
SMILESCNC(=O)[C@@H](C)CN(C)[C@@H](C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-7(9(18)15-3)5-17(4)8(2)10(19)16-6-11(12,13)14/h7-8H,5-6H2,1-4H3,(H,15,18)(H,16,19)/t7-,8-/m0/s1
InChIKeyBBEAQNFQBMDESV-YUMQZZPRSA-N
XLogP0.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide with MolForge

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Related Compounds

methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate
CID 103722524
N,2-dimethyl-3-[methyl(3-oxopentan-2-yl)amino]propanamide
CID 106916625
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 109397933
methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 62013602
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787853
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787931
2-[2-aminopropyl(methyl)amino]-N-methylpropanamide
CID 63760672
2-[methyl(piperidin-3-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106636258
2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 75386183
3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916274
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide?
The IUPAC name of (2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide (CID 97237748) is (2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide.
What is the SMILES notation for (2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide?
The canonical SMILES for (2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide is CNC(=O)[C@@H](C)CN(C)[C@@H](C)C(=O)NCC(F)(F)F.
What is the InChIKey of (2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide?
The InChIKey is BBEAQNFQBMDESV-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-7(9(18)15-3)5-17(4)8(2)10(19)16-6-11(12,13)14/h7-8H,5-6H2,1-4H3,(H,15,18)(H,16,19)/t7-,8-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide?
(2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide has a molecular weight of 283.29 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide is sourced from PubChem (CID 97237748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).