3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide

C15H19F3N2O3 — CID 108934905

IUPAC3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
SMILESCOc1cccc(CCC(=O)NCCCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c1-23-12-5-2-4-11(10-12)6-7-13(21)19-8-3-9-20-14(22)15(16,17)18/h2,4-5,10H,3,6-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyLJKDGPSRLVBFHD-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.81
Rot. Bonds8

About 3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide

3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide (PubChem CID 108934905) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
PubChem CID108934905
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
SMILESCOc1cccc(CCC(=O)NCCCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c1-23-12-5-2-4-11(10-12)6-7-13(21)19-8-3-9-20-14(22)15(16,17)18/h2,4-5,10H,3,6-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyLJKDGPSRLVBFHD-UHFFFAOYSA-N
XLogP1.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108934666
ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
CID 143097704
3-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172563
3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 134039850
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide
CID 34409690
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865
ethyl [4-[3-[3-(3-methoxyphenyl)propanoylamino]propylcarbamoyl]phenyl] carbonate
CID 108932396

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide (CID 108934905) is 3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide is COc1cccc(CCC(=O)NCCCNC(=O)C(F)(F)F)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide?
The InChIKey is LJKDGPSRLVBFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-23-12-5-2-4-11(10-12)6-7-13(21)19-8-3-9-20-14(22)15(16,17)18/h2,4-5,10H,3,6-9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide?
3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide has a molecular weight of 332.32 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide is sourced from PubChem (CID 108934905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).