N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide

C10H19F3N2O2 — CID 55261842

IUPACN-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
SMILESCCC(C)NC(=O)CNCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-8(2)15-9(16)6-14-4-5-17-7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyQNPHJRVLHFVHPJ-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.07
Rot. Bonds8

About N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide

N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide (PubChem CID 55261842) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
PubChem CID55261842
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
SMILESCCC(C)NC(=O)CNCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-3-8(2)15-9(16)6-14-4-5-17-7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyQNPHJRVLHFVHPJ-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-morpholin-4-ylacetamide
CID 17634927
Ethyl (2S)-2-[(2S)-2-aminopropanamido]propanoate
CID 14331237
N1-(2-methoxyethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585926
2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
Ethyl 3,3,3-trifluoro-2-(propanoylamino)propanoate
CID 4341681
2-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)propanamide
CID 57700797
2,2,2-trifluoro-N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]acetamide
CID 58007240
Glycyl-alanyl-glycine Methyl Ester Trifluoroacetate
CID 86735587
2-[[2-(Ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate
CID 87324565
Methyl 2-[2-[(2-aminoacetyl)amino]propanoylamino]acetate;2,2,2-trifluoroacetic acid
CID 88813030
2-[[(2R)-2-aminopropanoyl]amino]ethyl 2,2,2-trifluoroacetate
CID 89421100
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide (CID 55261842) is N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide is CCC(C)NC(=O)CNCCOCC(F)(F)F.
What is the InChIKey of N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
The InChIKey is QNPHJRVLHFVHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-8(2)15-9(16)6-14-4-5-17-7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide has a molecular weight of 256.27 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide is sourced from PubChem (CID 55261842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).