2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride

C24H32Cl2F3N3O4 — CID 90481302

IUPAC2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride
SMILESCOc1cc(CNCCCN2CCOCC2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1.Cl.Cl
InChIInChI=1S/C24H30F3N3O4.2ClH/c1-32-22-14-18(16-28-8-3-9-30-10-12-33-13-11-30)6-7-21(22)34-17-23(31)29-20-5-2-4-19(15-20)24(25,26)27;;/h2,4-7,14-15,28H,3,8-13,16-17H2,1H3,(H,29,31);2*1H
InChIKeyBLVLAEQCCGCFTK-UHFFFAOYSA-N
MW554.44 g/mol
LogP4.39
Rot. Bonds11

About 2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride

2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride (PubChem CID 90481302) has the molecular formula C24H32Cl2F3N3O4 and a molecular weight of 554.44 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride
PubChem CID90481302
Molecular FormulaC24H32Cl2F3N3O4
Molecular Weight554.44 g/mol
Exact Mass553.17
IUPAC Name2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride
SMILESCOc1cc(CNCCCN2CCOCC2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1.Cl.Cl
InChIInChI=1S/C24H30F3N3O4.2ClH/c1-32-22-14-18(16-28-8-3-9-30-10-12-33-13-11-30)6-7-21(22)34-17-23(31)29-20-5-2-4-19(15-20)24(25,26)27;;/h2,4-7,14-15,28H,3,8-13,16-17H2,1H3,(H,29,31);2*1H
InChIKeyBLVLAEQCCGCFTK-UHFFFAOYSA-N
XLogP4.39
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride 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-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 2981319
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3160557
2-[4-[(1-hydroxybutan-2-ylamino)methyl]-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4747376
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 4715809
2-[2-bromo-6-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126268540
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4719269
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17293680
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2986175
2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 57365585
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2978951

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride (CID 90481302) is 2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride is COc1cc(CNCCCN2CCOCC2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1.Cl.Cl.
What is the InChIKey of 2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The InChIKey is BLVLAEQCCGCFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O4.2ClH/c1-32-22-14-18(16-28-8-3-9-30-10-12-33-13-11-30)6-7-21(22)34-17-23(31)29-20-5-2-4-19(15-20)24(25,26)27;;/h2,4-7,14-15,28H,3,8-13,16-17H2,1H3,(H,29,31);2*1H.
What are the key properties of 2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride has a molecular weight of 554.44 g/mol, XLogP of 4.39, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 90481302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).