3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide

C16H26FN3O — CID 109017050

IUPAC3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCN(C)CCCNCCC(=O)NCCc1ccccc1F
InChIInChI=1S/C16H26FN3O/c1-20(2)13-5-10-18-11-9-16(21)19-12-8-14-6-3-4-7-15(14)17/h3-4,6-7,18H,5,8-13H2,1-2H3,(H,19,21)
InChIKeyNJHDEQVKTBQLBX-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.42
Rot. Bonds10

About 3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide

3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 109017050) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
PubChem CID109017050
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCN(C)CCCNCCC(=O)NCCc1ccccc1F
InChIInChI=1S/C16H26FN3O/c1-20(2)13-5-10-18-11-9-16(21)19-12-8-14-6-3-4-7-15(14)17/h3-4,6-7,18H,5,8-13H2,1-2H3,(H,19,21)
InChIKeyNJHDEQVKTBQLBX-UHFFFAOYSA-N
XLogP1.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.42
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

N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110408284
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
N-[2-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024783
3-[2-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 109015003
2-N-[3-(dimethylamino)propyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133984
N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
CID 109016887
1-[3-(dimethylamino)propyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111361404
3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021953
3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017023
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide (CID 109017050) is 3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide is CN(C)CCCNCCC(=O)NCCc1ccccc1F.
What is the InChIKey of 3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is NJHDEQVKTBQLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-20(2)13-5-10-18-11-9-16(21)19-12-8-14-6-3-4-7-15(14)17/h3-4,6-7,18H,5,8-13H2,1-2H3,(H,19,21).
What are the key properties of 3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide?
3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 295.40 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 109017050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).