N-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide

C20H25FN2O2 — CID 166223039

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide
SMILESCc1ccc(F)c(OCC(=O)NCCCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H25FN2O2/c1-15-6-11-18(21)19(13-15)25-14-20(24)22-12-4-5-16-7-9-17(10-8-16)23(2)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)
InChIKeyXUYXSSDJIQDPOV-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.33
Rot. Bonds8

About N-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide

N-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide (PubChem CID 166223039) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide
PubChem CID166223039
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide
SMILESCc1ccc(F)c(OCC(=O)NCCCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H25FN2O2/c1-15-6-11-18(21)19(13-15)25-14-20(24)22-12-4-5-16-7-9-17(10-8-16)23(2)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24)
InChIKeyXUYXSSDJIQDPOV-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854138
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 163329160
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
CID 48586236
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 5426420
N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100532072
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide (CID 166223039) is N-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide is Cc1ccc(F)c(OCC(=O)NCCCc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide?
The InChIKey is XUYXSSDJIQDPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-15-6-11-18(21)19(13-15)25-14-20(24)22-12-4-5-16-7-9-17(10-8-16)23(2)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,24).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide has a molecular weight of 344.43 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-2-(2-fluoro-5-methylphenoxy)acetamide is sourced from PubChem (CID 166223039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).