2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H21F3N2O2 — CID 26600684

IUPAC2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CCCOc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N2O2/c1-24(12-7-13-26-15-8-3-2-4-9-15)14-18(25)23-17-11-6-5-10-16(17)19(20,21)22/h2-6,8-11H,7,12-14H2,1H3,(H,23,25)
InChIKeyQKMXUWYTQXGMGQ-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.04
Rot. Bonds8

About 2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 26600684) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID26600684
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CCCOc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N2O2/c1-24(12-7-13-26-15-8-3-2-4-9-15)14-18(25)23-17-11-6-5-10-16(17)19(20,21)22/h2-6,8-11H,7,12-14H2,1H3,(H,23,25)
InChIKeyQKMXUWYTQXGMGQ-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9168228
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 51171639
2-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4883947
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286510
methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate
CID 9286444
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-phenylphenyl)acetamide
CID 17427414
3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983106
3-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 24589134
3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 119163983
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16566193

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 26600684) is 2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is CN(CCCOc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QKMXUWYTQXGMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-24(12-7-13-26-15-8-3-2-4-9-15)14-18(25)23-17-11-6-5-10-16(17)19(20,21)22/h2-6,8-11H,7,12-14H2,1H3,(H,23,25).
What are the key properties of 2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 366.38 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 26600684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).