N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide

C19H21F3N2O2 — CID 86971896

IUPACN-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide
SMILESCOCC(NC(=O)CN(C)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-24(16-9-4-3-5-10-16)12-18(25)23-17(13-26-2)14-7-6-8-15(11-14)19(20,21)22/h3-11,17H,12-13H2,1-2H3,(H,23,25)
InChIKeyXTOWALZZDNTJQT-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.65
Rot. Bonds7

About N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide

N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide (PubChem CID 86971896) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide.

Molecular Properties

Compound NameN-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide
PubChem CID86971896
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC NameN-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide
SMILESCOCC(NC(=O)CN(C)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-24(16-9-4-3-5-10-16)12-18(25)23-17(13-26-2)14-7-6-8-15(11-14)19(20,21)22/h3-11,17H,12-13H2,1-2H3,(H,23,25)
InChIKeyXTOWALZZDNTJQT-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111455621
3-(4-fluorophenyl)sulfonyl-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 86970872
N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide
CID 124847956
(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95771540
1-cyclohexyl-3-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-2-ynylurea
CID 95771613
2-(N-methylanilino)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 32735659
1-(1-benzylpiperidin-4-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86972447
2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 62541567
1-[[2-(N-methylanilino)acetyl]amino]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 86859978
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2273018
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
(3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane
CID 160866666

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide?
The IUPAC name of N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide (CID 86971896) is N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide.
What is the SMILES notation for N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide?
The canonical SMILES for N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide is COCC(NC(=O)CN(C)c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide?
The InChIKey is XTOWALZZDNTJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-24(16-9-4-3-5-10-16)12-18(25)23-17(13-26-2)14-7-6-8-15(11-14)19(20,21)22/h3-11,17H,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide?
N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide has a molecular weight of 366.38 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide is sourced from PubChem (CID 86971896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).