N-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide

C10H19F3N2O2 — CID 103205424

IUPACN-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)N(CCN)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-8(2)15(5-4-14)9(16)3-6-17-7-10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyCZLWFHWYISOZIL-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.15
Rot. Bonds7

About N-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103205424) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103205424
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)N(CCN)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-8(2)15(5-4-14)9(16)3-6-17-7-10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyCZLWFHWYISOZIL-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103205424) is N-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)N(CCN)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is CZLWFHWYISOZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-8(2)15(5-4-14)9(16)3-6-17-7-10(11,12)13/h8H,3-7,14H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103205424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).