2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide

C20H28N4O3 — CID 174772151

IUPAC2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide
SMILESCNC(=O)C(OC)c1ccccc1COc1cc(NC)c(NC)cc1NC
InChIInChI=1S/C20H28N4O3/c1-21-15-10-17(23-3)18(11-16(15)22-2)27-12-13-8-6-7-9-14(13)19(26-5)20(25)24-4/h6-11,19,21-23H,12H2,1-5H3,(H,24,25)
InChIKeyWXGIUHTZRWJOEW-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.82
Rot. Bonds9

About 2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide

2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide (PubChem CID 174772151) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide
PubChem CID174772151
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide
SMILESCNC(=O)C(OC)c1ccccc1COc1cc(NC)c(NC)cc1NC
InChIInChI=1S/C20H28N4O3/c1-21-15-10-17(23-3)18(11-16(15)22-2)27-12-13-8-6-7-9-14(13)19(26-5)20(25)24-4/h6-11,19,21-23H,12H2,1-5H3,(H,24,25)
InChIKeyWXGIUHTZRWJOEW-UHFFFAOYSA-N
XLogP2.82
TPSA83.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide 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-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
CID 101177998
2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
CID 101178001
2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide
CID 175139513
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one
CID 123161205
methyl 2-[2-[(3,5-dichlorophenoxy)methyl]phenyl]-2-methoxyacetate
CID 101177991
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide
CID 18357808
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide
CID 67121861
2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide
CID 101177983
methyl 2-[2-[(4-chlorophenoxy)methyl]phenyl]-2-methoxyacetate
CID 101177986
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
CID 135862994
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide;[methyl-oxo-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-λ6-sulfanylidene]cyanamide
CID 71624428
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfonylacetate
CID 18357810

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide (CID 174772151) is 2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide is CNC(=O)C(OC)c1ccccc1COc1cc(NC)c(NC)cc1NC.
What is the InChIKey of 2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide?
The InChIKey is WXGIUHTZRWJOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-21-15-10-17(23-3)18(11-16(15)22-2)27-12-13-8-6-7-9-14(13)19(26-5)20(25)24-4/h6-11,19,21-23H,12H2,1-5H3,(H,24,25).
What are the key properties of 2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide?
2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 2.82, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide is sourced from PubChem (CID 174772151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).