4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide

C11H20F3N3O3 — CID 103155176

IUPAC4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(CN)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c1-16(2)10(19)6-17(7-11(12,13)14)9(18)4-8(5-15)20-3/h8H,4-7,15H2,1-3H3
InChIKeyOOPWFEQRYFEQDZ-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.17
Rot. Bonds7

About 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103155176) has the molecular formula C11H20F3N3O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103155176
Molecular FormulaC11H20F3N3O3
Molecular Weight299.29 g/mol
Exact Mass299.15
IUPAC Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOC(CN)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c1-16(2)10(19)6-17(7-11(12,13)14)9(18)4-8(5-15)20-3/h8H,4-7,15H2,1-3H3
InChIKeyOOPWFEQRYFEQDZ-UHFFFAOYSA-N
XLogP-0.17
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155309
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155146
methyl 3-[(4-amino-3-methoxybutanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 103155182
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 120589296
N-[2-(dimethylamino)-2-oxoethyl]-3-oxo-N-(2,2,2-trifluoroethyl)butanamide
CID 54876613
2-amino-N-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60947678
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide
CID 60947251
N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54872054
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61266021
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybutanamide
CID 103156201
4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide
CID 103156901
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79815221

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide (CID 103155176) is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is COC(CN)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is OOPWFEQRYFEQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3/c1-16(2)10(19)6-17(7-11(12,13)14)9(18)4-8(5-15)20-3/h8H,4-7,15H2,1-3H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 299.29 g/mol, XLogP of -0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103155176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).