N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide

C20H25FN2O3 — CID 47012174

IUPACN-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide
SMILESCOc1ccc(OCCNC(C)C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O3/c1-14(16-4-6-17(21)7-5-16)23-20(24)15(2)22-12-13-26-19-10-8-18(25-3)9-11-19/h4-11,14-15,22H,12-13H2,1-3H3,(H,23,24)
InChIKeyWUDGCAFEJIVSRM-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.07
Rot. Bonds9

About N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide

N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide (PubChem CID 47012174) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide
PubChem CID47012174
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide
SMILESCOc1ccc(OCCNC(C)C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O3/c1-14(16-4-6-17(21)7-5-16)23-20(24)15(2)22-12-13-26-19-10-8-18(25-3)9-11-19/h4-11,14-15,22H,12-13H2,1-3H3,(H,23,24)
InChIKeyWUDGCAFEJIVSRM-UHFFFAOYSA-N
XLogP3.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.07
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

(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 51556512
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 51556510
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 28958208
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93172695
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93172697
(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317321
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 46770805
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 81363654

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide (CID 47012174) is N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide is COc1ccc(OCCNC(C)C(=O)NC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide?
The InChIKey is WUDGCAFEJIVSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-14(16-4-6-17(21)7-5-16)23-20(24)15(2)22-12-13-26-19-10-8-18(25-3)9-11-19/h4-11,14-15,22H,12-13H2,1-3H3,(H,23,24).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide?
N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide has a molecular weight of 360.43 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]propanamide is sourced from PubChem (CID 47012174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).