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

C11H21F3N2O2 — CID 60734502

IUPACN-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-4-8(2)16-10(17)9(3)15-5-6-18-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyXZMRSSSTRVWLCZ-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.46
Rot. Bonds8

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

N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (PubChem CID 60734502) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
PubChem CID60734502
Molecular FormulaC11H21F3N2O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC NameN-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-4-8(2)16-10(17)9(3)15-5-6-18-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyXZMRSSSTRVWLCZ-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.46
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

methyl (2S)-2-[[2-(2,2,2-trifluoroethoxycarbonylamino)acetyl]amino]propanoate
CID 164673424
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
N-(2-methoxyethyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 75385915
Butyl N-(trifluoroacetyl)-alpha-aminobutyrate
CID 535338
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
1-O-methyl 3-O-[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]butyl] propanedioate
CID 60034260
2-amino-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 81082032
Glycyl-alanyl-glycine Methyl Ester Trifluoroacetate
CID 86735587

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The IUPAC name of N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (CID 60734502) is N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is CCC(C)NC(=O)C(C)NCCOCC(F)(F)F.
What is the InChIKey of N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The InChIKey is XZMRSSSTRVWLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-4-8(2)16-10(17)9(3)15-5-6-18-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide has a molecular weight of 270.30 g/mol, XLogP of 1.46, 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]propanamide is sourced from PubChem (CID 60734502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).