2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H21F3N2O4 — CID 119134260

IUPAC2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(CNCCO)ccc1OCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N2O4/c1-27-17-10-13(11-23-8-9-25)6-7-16(17)28-12-18(26)24-15-5-3-2-4-14(15)19(20,21)22/h2-7,10,23,25H,8-9,11-12H2,1H3,(H,24,26)
InChIKeyXYSZLFHNQDKMPN-UHFFFAOYSA-N
MW398.38 g/mol
LogP2.81
Rot. Bonds9

About 2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 119134260) has the molecular formula C19H21F3N2O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID119134260
Molecular FormulaC19H21F3N2O4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC Name2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(CNCCO)ccc1OCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N2O4/c1-27-17-10-13(11-23-8-9-25)6-7-16(17)28-12-18(26)24-15-5-3-2-4-14(15)19(20,21)22/h2-7,10,23,25H,8-9,11-12H2,1H3,(H,24,26)
InChIKeyXYSZLFHNQDKMPN-UHFFFAOYSA-N
XLogP2.81
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(trifluoromethyl)phenyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978103
[2-(carbamoylamino)-2-oxoethyl] 3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzoate
CID 3938129
2-(3,5-dimethoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7713877
2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 75451846
2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride
CID 2960401
[2-(1H-indol-3-yl)-2-oxoethyl] 3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzoate
CID 2472823
2-(2-ethoxy-4-formylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7820624
N-(2-methoxy-5-methylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 51283496
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzoate
CID 3536553
methyl 3-bromo-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzoate
CID 36940941
3-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanoic acid
CID 138995261

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 119134260) is 2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1cc(CNCCO)ccc1OCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XYSZLFHNQDKMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4/c1-27-17-10-13(11-23-8-9-25)6-7-16(17)28-12-18(26)24-15-5-3-2-4-14(15)19(20,21)22/h2-7,10,23,25H,8-9,11-12H2,1H3,(H,24,26).
What are the key properties of 2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 398.38 g/mol, XLogP of 2.81, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 119134260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).