N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide

C15H24FN3O — CID 108995212

IUPACN-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide
SMILESCN(C)CCCNC(=O)CNCCc1ccc(F)cc1
InChIInChI=1S/C15H24FN3O/c1-19(2)11-3-9-18-15(20)12-17-10-8-13-4-6-14(16)7-5-13/h4-7,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyGYGDFZWZKUTSQE-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.03
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide

N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide (PubChem CID 108995212) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide
PubChem CID108995212
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide
SMILESCN(C)CCCNC(=O)CNCCc1ccc(F)cc1
InChIInChI=1S/C15H24FN3O/c1-19(2)11-3-9-18-15(20)12-17-10-8-13-4-6-14(16)7-5-13/h4-7,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyGYGDFZWZKUTSQE-UHFFFAOYSA-N
XLogP1.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.03
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]-3-(4-fluorophenyl)propanamide
CID 94913793
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
2-N-[3-(dimethylamino)propyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133985
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide
CID 108992943
N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
CID 109016887
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
2-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108995048
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 112993422
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide (CID 108995212) is N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide is CN(C)CCCNC(=O)CNCCc1ccc(F)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide?
The InChIKey is GYGDFZWZKUTSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-19(2)11-3-9-18-15(20)12-17-10-8-13-4-6-14(16)7-5-13/h4-7,17H,3,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide?
N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 108995212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).