N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide

C20H22F3N3O3 — CID 17437130

IUPACN-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
SMILESCOc1ccccc1NC(=O)C(C)N(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H22F3N3O3/c1-13(19(28)25-16-10-6-7-11-17(16)29-3)26(2)12-18(27)24-15-9-5-4-8-14(15)20(21,22)23/h4-11,13H,12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyVPNPDSSHDQUJBW-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.61
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide

N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide (PubChem CID 17437130) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
PubChem CID17437130
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
SMILESCOc1ccccc1NC(=O)C(C)N(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H22F3N3O3/c1-13(19(28)25-16-10-6-7-11-17(16)29-3)26(2)12-18(27)24-15-9-5-4-8-14(15)20(21,22)23/h4-11,13H,12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyVPNPDSSHDQUJBW-UHFFFAOYSA-N
XLogP3.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 46561666
(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 7986544
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanoic acid
CID 119913712
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 25442603
(2S)-N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 9286593
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-fluorophenyl)propanamide
CID 51167338
2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286477
N-(3-cyanophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 17425595
(2S)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 27251961
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[methyl-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-2-oxoethyl]amino]propanoic acid
CID 119913186
2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide (CID 17437130) is N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide is COc1ccccc1NC(=O)C(C)N(C)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide?
The InChIKey is VPNPDSSHDQUJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-13(19(28)25-16-10-6-7-11-17(16)29-3)26(2)12-18(27)24-15-9-5-4-8-14(15)20(21,22)23/h4-11,13H,12H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide?
N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide has a molecular weight of 409.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide is sourced from PubChem (CID 17437130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).