2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide

C20H26N4O3 — CID 47091775

IUPAC2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C/N=C(\N)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N4O3/c1-22-19(25)14-27-18-9-5-16(6-10-18)13-24-20(21)23-12-11-15-3-7-17(26-2)8-4-15/h3-10H,11-14H2,1-2H3,(H,22,25)(H3,21,23,24)
InChIKeyIAGCNVKJBISQIF-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.47
Rot. Bonds9

About 2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide

2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide (PubChem CID 47091775) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide
PubChem CID47091775
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C/N=C(\N)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N4O3/c1-22-19(25)14-27-18-9-5-16(6-10-18)13-24-20(21)23-12-11-15-3-7-17(26-2)8-4-15/h3-10H,11-14H2,1-2H3,(H,22,25)(H3,21,23,24)
InChIKeyIAGCNVKJBISQIF-UHFFFAOYSA-N
XLogP1.47
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide 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-methoxyphenoxy)-N-methylacetamide
CID 606867
1-[2-(4-methoxyphenyl)ethyl]-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110925910
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109
2-(4-acetamidophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2461039
1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide
CID 110924943
N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752348
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111806327
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
2-[(3,4-dimethoxyphenyl)methyl]-1-[4-(4-methoxyphenyl)butyl]guanidine
CID 111975475
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846555
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111061286
1-(2-phenylethyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111040842

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide (CID 47091775) is 2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(C/N=C(\N)NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide?
The InChIKey is IAGCNVKJBISQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-22-19(25)14-27-18-9-5-16(6-10-18)13-24-20(21)23-12-11-15-3-7-17(26-2)8-4-15/h3-10H,11-14H2,1-2H3,(H,22,25)(H3,21,23,24).
What are the key properties of 2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide?
2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide has a molecular weight of 370.45 g/mol, XLogP of 1.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 47091775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).