N-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide

C20H25FN2O2 — CID 71229863

IUPACN-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(F)cc1C)C(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C20H25FN2O2/c1-5-18(25-19-10-9-16(21)11-14(19)2)20(24)22-13-15-7-6-8-17(12-15)23(3)4/h6-12,18H,5,13H2,1-4H3,(H,22,24)
InChIKeyJLKQZTKUANTVBS-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.67
Rot. Bonds7

About N-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide

N-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide (PubChem CID 71229863) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide
PubChem CID71229863
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(F)cc1C)C(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C20H25FN2O2/c1-5-18(25-19-10-9-16(21)11-14(19)2)20(24)22-13-15-7-6-8-17(12-15)23(3)4/h6-12,18H,5,13H2,1-4H3,(H,22,24)
InChIKeyJLKQZTKUANTVBS-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide (CID 71229863) is N-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide is CCC(Oc1ccc(F)cc1C)C(=O)NCc1cccc(N(C)C)c1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide?
The InChIKey is JLKQZTKUANTVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-5-18(25-19-10-9-16(21)11-14(19)2)20(24)22-13-15-7-6-8-17(12-15)23(3)4/h6-12,18H,5,13H2,1-4H3,(H,22,24).
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide?
N-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide has a molecular weight of 344.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-2-(4-fluoro-2-methylphenoxy)butanamide is sourced from PubChem (CID 71229863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).