N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide

C19H21F3N2O2 — CID 55543882

IUPACN-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide
SMILESCc1cccc(NC(=O)C(C)N(C)Cc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-13-7-6-9-16(11-13)23-18(25)14(2)24(3)12-15-8-4-5-10-17(15)26-19(20,21)22/h4-11,14H,12H2,1-3H3,(H,23,25)
InChIKeyQCGQLNOUAPXMHL-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.35
Rot. Bonds6

About N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide

N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide (PubChem CID 55543882) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide
PubChem CID55543882
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC NameN-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide
SMILESCc1cccc(NC(=O)C(C)N(C)Cc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-13-7-6-9-16(11-13)23-18(25)14(2)24(3)12-15-8-4-5-10-17(15)26-19(20,21)22/h4-11,14H,12H2,1-3H3,(H,23,25)
InChIKeyQCGQLNOUAPXMHL-UHFFFAOYSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24665025
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
(2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide
CID 8805401
2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 91836915
(2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 9045544
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 25482866
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
CID 9262561
2-[[(2S)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 51648920
N-(4-bromo-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 18094027
2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 47007628
(2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide
CID 8550993

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide?
The IUPAC name of N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide (CID 55543882) is N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide?
The canonical SMILES for N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide is Cc1cccc(NC(=O)C(C)N(C)Cc2ccccc2OC(F)(F)F)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide?
The InChIKey is QCGQLNOUAPXMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-13-7-6-9-16(11-13)23-18(25)14(2)24(3)12-15-8-4-5-10-17(15)26-19(20,21)22/h4-11,14H,12H2,1-3H3,(H,23,25).
What are the key properties of N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide?
N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide has a molecular weight of 366.38 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide is sourced from PubChem (CID 55543882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).