3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide

C20H25FN2O3 — CID 109020704

IUPAC3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCOc1ccc(CCNCCC(=O)NCc2ccccc2F)cc1OC
InChIInChI=1S/C20H25FN2O3/c1-25-18-8-7-15(13-19(18)26-2)9-11-22-12-10-20(24)23-14-16-5-3-4-6-17(16)21/h3-8,13,22H,9-12,14H2,1-2H3,(H,23,24)
InChIKeyFPPVCFUCORCPHH-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.68
Rot. Bonds10

About 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide

3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 109020704) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID109020704
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCOc1ccc(CCNCCC(=O)NCc2ccccc2F)cc1OC
InChIInChI=1S/C20H25FN2O3/c1-25-18-8-7-15(13-19(18)26-2)9-11-22-12-10-20(24)23-14-16-5-3-4-6-17(16)21/h3-8,13,22H,9-12,14H2,1-2H3,(H,23,24)
InChIKeyFPPVCFUCORCPHH-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

2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 108997641
N-[(2-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109020694
N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027882
3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021953
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
3-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020705
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109021346
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109020684
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109022589
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298791
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide (CID 109020704) is 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide is COc1ccc(CCNCCC(=O)NCc2ccccc2F)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is FPPVCFUCORCPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-25-18-8-7-15(13-19(18)26-2)9-11-22-12-10-20(24)23-14-16-5-3-4-6-17(16)21/h3-8,13,22H,9-12,14H2,1-2H3,(H,23,24).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide?
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide 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 3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 109020704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).