N-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide

C13H17F3N2O2 — CID 60908825

IUPACN-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-9(19)18-6-5-17-8-12(20)10-3-2-4-11(7-10)13(14,15)16/h2-4,7,12,17,20H,5-6,8H2,1H3,(H,18,19)
InChIKeyIZLLVUWCTPRQSO-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.46
Rot. Bonds6

About N-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide

N-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide (PubChem CID 60908825) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide
PubChem CID60908825
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-9(19)18-6-5-17-8-12(20)10-3-2-4-11(7-10)13(14,15)16/h2-4,7,12,17,20H,5-6,8H2,1H3,(H,18,19)
InChIKeyIZLLVUWCTPRQSO-UHFFFAOYSA-N
XLogP1.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
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-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide (CID 60908825) is N-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide is CC(=O)NCCNCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide?
The InChIKey is IZLLVUWCTPRQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(19)18-6-5-17-8-12(20)10-3-2-4-11(7-10)13(14,15)16/h2-4,7,12,17,20H,5-6,8H2,1H3,(H,18,19).
What are the key properties of N-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide?
N-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]acetamide is sourced from PubChem (CID 60908825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).