N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide

C20H25FN2O3 — CID 119109393

IUPACN-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNCCc2cccc(F)c2)cc1OC
InChIInChI=1S/C20H25FN2O3/c1-3-23-20(24)14-26-18-8-7-16(12-19(18)25-2)13-22-10-9-15-5-4-6-17(21)11-15/h4-8,11-12,22H,3,9-10,13-14H2,1-2H3,(H,23,24)
InChIKeyBBVBLJZSBMMUIZ-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.68
Rot. Bonds10

About N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide

N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide (PubChem CID 119109393) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide
PubChem CID119109393
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC NameN-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNCCc2cccc(F)c2)cc1OC
InChIInChI=1S/C20H25FN2O3/c1-3-23-20(24)14-26-18-8-7-16(12-19(18)25-2)13-22-10-9-15-5-4-6-17(21)11-15/h4-8,11-12,22H,3,9-10,13-14H2,1-2H3,(H,23,24)
InChIKeyBBVBLJZSBMMUIZ-UHFFFAOYSA-N
XLogP2.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[4-[[[N-[(3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxyphenoxy]acetamide;hydroiodide
CID 111877486
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]-N-methylacetamide
CID 59596835
N-ethyl-2-[2-methoxy-4-[[2-(4-methyl-1H-indol-3-yl)ethylamino]methyl]phenoxy]acetamide
CID 119114400
N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide
CID 43401960
2-[2-chloro-4-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 35607506
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
1-(4-ethylpiperazin-1-yl)-3-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45222649
2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid
CID 122129258
N-ethyl-2-[4-[[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 111900067
N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 94870303
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 26120183
N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
CID 43278640

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide (CID 119109393) is N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide is CCNC(=O)COc1ccc(CNCCc2cccc(F)c2)cc1OC.
What is the InChIKey of N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is BBVBLJZSBMMUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-3-23-20(24)14-26-18-8-7-16(12-19(18)25-2)13-22-10-9-15-5-4-6-17(21)11-15/h4-8,11-12,22H,3,9-10,13-14H2,1-2H3,(H,23,24).
What are the key properties of N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide?
N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 360.43 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 119109393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).