3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid

C16H23FN2O5 — CID 171154590

IUPAC3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid
SMILESCCCCN(C)CCC(=O)Nc1ccc(F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C14H21FN2O.C2H2O4/c1-3-4-10-17(2)11-9-14(18)16-13-7-5-12(15)6-8-13;3-1(4)2(5)6/h5-8H,3-4,9-11H2,1-2H3,(H,16,18);(H,3,4)(H,5,6)
InChIKeyXPTRURRTOGHRLE-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.04
Rot. Bonds7

About 3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid

3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid (PubChem CID 171154590) has the molecular formula C16H23FN2O5 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid
PubChem CID171154590
Molecular FormulaC16H23FN2O5
Molecular Weight342.37 g/mol
Exact Mass342.16
IUPAC Name3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid
SMILESCCCCN(C)CCC(=O)Nc1ccc(F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C14H21FN2O.C2H2O4/c1-3-4-10-17(2)11-9-14(18)16-13-7-5-12(15)6-8-13;3-1(4)2(5)6/h5-8H,3-4,9-11H2,1-2H3,(H,16,18);(H,3,4)(H,5,6)
InChIKeyXPTRURRTOGHRLE-UHFFFAOYSA-N
XLogP2.04
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid
CID 171154464
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422
3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 2167939
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139954498
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 108795373
N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide
CID 109032458
N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
CID 2902956
3-[butyl(methyl)amino]-N-[3-(dimethylamino)phenyl]propanamide
CID 108795391
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid?
The IUPAC name of 3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid (CID 171154590) is 3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid is CCCCN(C)CCC(=O)Nc1ccc(F)cc1.O=C(O)C(=O)O.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid?
The InChIKey is XPTRURRTOGHRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O.C2H2O4/c1-3-4-10-17(2)11-9-14(18)16-13-7-5-12(15)6-8-13;3-1(4)2(5)6/h5-8H,3-4,9-11H2,1-2H3,(H,16,18);(H,3,4)(H,5,6).
What are the key properties of 3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid?
3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid has a molecular weight of 342.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid is sourced from PubChem (CID 171154590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).