2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide

C11H20F3N3O3 — CID 79805593

IUPAC2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCOCCCNC(=O)CN(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c1-10(15,11(12,13)14)9(19)17(2)7-8(18)16-5-4-6-20-3/h4-7,15H2,1-3H3,(H,16,18)
InChIKeySXVLONSWUPXLNP-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.12
Rot. Bonds7

About 2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide

2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide (PubChem CID 79805593) has the molecular formula C11H20F3N3O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
PubChem CID79805593
Molecular FormulaC11H20F3N3O3
Molecular Weight299.29 g/mol
Exact Mass299.15
IUPAC Name2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCOCCCNC(=O)CN(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c1-10(15,11(12,13)14)9(19)17(2)7-8(18)16-5-4-6-20-3/h4-7,15H2,1-3H3,(H,16,18)
InChIKeySXVLONSWUPXLNP-UHFFFAOYSA-N
XLogP-0.12
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide (CID 79805593) is 2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide is COCCCNC(=O)CN(C)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide?
The InChIKey is SXVLONSWUPXLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3/c1-10(15,11(12,13)14)9(19)17(2)7-8(18)16-5-4-6-20-3/h4-7,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide?
2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide has a molecular weight of 299.29 g/mol, XLogP of -0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 79805593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).