2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide

C9H16F3N3O3 — CID 81082824

IUPAC2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
SMILESCOCC(N)C(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O3/c1-15(8(17)6(13)4-18-2)3-7(16)14-5-9(10,11)12/h6H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyXBGGEDKIFXAGOE-UHFFFAOYSA-N
MW271.24 g/mol
LogP-0.90
Rot. Bonds6

About 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide

2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide (PubChem CID 81082824) has the molecular formula C9H16F3N3O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
PubChem CID81082824
Molecular FormulaC9H16F3N3O3
Molecular Weight271.24 g/mol
Exact Mass271.11
IUPAC Name2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
SMILESCOCC(N)C(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O3/c1-15(8(17)6(13)4-18-2)3-7(16)14-5-9(10,11)12/h6H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyXBGGEDKIFXAGOE-UHFFFAOYSA-N
XLogP-0.90
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-4-oxobutanoic acid
CID 64894367
2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide
CID 54871547
2-amino-3-methoxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 81081950
(2S)-2-amino-N-methyl-4-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 61165285
2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 81082656
2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-3-oxopropanoic acid
CID 114897590
2-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
CID 62474499
2-[bis(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78807325
(2R)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpentanamide
CID 93373594
2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 62472504
N-methyl-3-oxo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 54876595
2-[2-aminoethyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113468481

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide (CID 81082824) is 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide is COCC(N)C(=O)N(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The InChIKey is XBGGEDKIFXAGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3/c1-15(8(17)6(13)4-18-2)3-7(16)14-5-9(10,11)12/h6H,3-5,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide has a molecular weight of 271.24 g/mol, XLogP of -0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide is sourced from PubChem (CID 81082824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).