(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium

C20H26FN2O2+ — CID 9431673

IUPAC(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)NCCCc2ccccc2)cc1F
InChIInChI=1S/C20H25FN2O2/c1-23(14-17-10-11-19(25-2)18(21)13-17)15-20(24)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3,(H,22,24)/p+1
InChIKeyZUWFAJOMVNFJTF-UHFFFAOYSA-O
MW345.44 g/mol
LogP1.60
Rot. Bonds9

About (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium

(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium (PubChem CID 9431673) has the molecular formula C20H26FN2O2+ and a molecular weight of 345.44 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
PubChem CID9431673
Molecular FormulaC20H26FN2O2+
Molecular Weight345.44 g/mol
Exact Mass345.20
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
SMILESCOc1ccc(C[NH+](C)CC(=O)NCCCc2ccccc2)cc1F
InChIInChI=1S/C20H25FN2O2/c1-23(14-17-10-11-19(25-2)18(21)13-17)15-20(24)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3,(H,22,24)/p+1
InChIKeyZUWFAJOMVNFJTF-UHFFFAOYSA-O
XLogP1.60
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
CID 9101509
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 21282395
(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9431684
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432476
[2-(2-cyanoanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9431380
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432682
(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9291603
[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432073
(5-chloro-2-methoxyphenyl)methyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9136574
N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide
CID 108949889
(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9265045
[2-(2,4-dimethylanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9264991

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium (CID 9431673) is (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium is COc1ccc(C[NH+](C)CC(=O)NCCCc2ccccc2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium?
The InChIKey is ZUWFAJOMVNFJTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25FN2O2/c1-23(14-17-10-11-19(25-2)18(21)13-17)15-20(24)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3,(H,22,24)/p+1.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium?
(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium has a molecular weight of 345.44 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium is sourced from PubChem (CID 9431673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).