4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride

C14H20ClF3N2O3 — CID 120589465

IUPAC4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCOc1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C14H19F3N2O3.ClH/c1-21-12(9-18)8-13(20)19-6-7-22-11-4-2-10(3-5-11)14(15,16)17;/h2-5,12H,6-9,18H2,1H3,(H,19,20);1H
InChIKeyOZLLPNWVIIXPEA-UHFFFAOYSA-N
MW356.77 g/mol
LogP1.99
Rot. Bonds8

About 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride

4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride (PubChem CID 120589465) has the molecular formula C14H20ClF3N2O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride
PubChem CID120589465
Molecular FormulaC14H20ClF3N2O3
Molecular Weight356.77 g/mol
Exact Mass356.11
IUPAC Name4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCOc1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C14H19F3N2O3.ClH/c1-21-12(9-18)8-13(20)19-6-7-22-11-4-2-10(3-5-11)14(15,16)17;/h2-5,12H,6-9,18H2,1H3,(H,19,20);1H
InChIKeyOZLLPNWVIIXPEA-UHFFFAOYSA-N
XLogP1.99
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 51.99
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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Related Compounds

3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296668
4-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxybutanamide
CID 120590045
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375
4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120589848
4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide;dihydrochloride
CID 120597522
4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide
CID 120597523
2-(2,5-dimethoxyphenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 78892262
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803102
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
1-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296688
(2S)-2-amino-4-methylsulfanyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 119296677
4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059246

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride (CID 120589465) is 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride is COC(CN)CC(=O)NCCOc1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride?
The InChIKey is OZLLPNWVIIXPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3.ClH/c1-21-12(9-18)8-13(20)19-6-7-22-11-4-2-10(3-5-11)14(15,16)17;/h2-5,12H,6-9,18H2,1H3,(H,19,20);1H.
What are the key properties of 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride has a molecular weight of 356.77 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 120589465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).