2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide

C19H25IN4O3 — CID 111074576

IUPAC2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide
SMILESCCNC(=O)COc1cccc(C/N=C(\N)Nc2ccccc2OC)c1.I
InChIInChI=1S/C19H24N4O3.HI/c1-3-21-18(24)13-26-15-8-6-7-14(11-15)12-22-19(20)23-16-9-4-5-10-17(16)25-2;/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H3,20,22,23);1H
InChIKeyASZMHOVISHBTEJ-UHFFFAOYSA-N
MW484.34 g/mol
LogP2.75
Rot. Bonds8

About 2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide

2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide (PubChem CID 111074576) has the molecular formula C19H25IN4O3 and a molecular weight of 484.34 g/mol. Its IUPAC name is 2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide
PubChem CID111074576
Molecular FormulaC19H25IN4O3
Molecular Weight484.34 g/mol
Exact Mass484.10
IUPAC Name2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide
SMILESCCNC(=O)COc1cccc(C/N=C(\N)Nc2ccccc2OC)c1.I
InChIInChI=1S/C19H24N4O3.HI/c1-3-21-18(24)13-26-15-8-6-7-14(11-15)12-22-19(20)23-16-9-4-5-10-17(16)25-2;/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H3,20,22,23);1H
InChIKeyASZMHOVISHBTEJ-UHFFFAOYSA-N
XLogP2.75
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.34
LogP ≤ 52.75
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111047762
1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
CID 111082128
1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111082129
2-[3-[[[amino-(4-butan-2-ylanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide
CID 111074581
2-[4-[[[amino-(2,6-diethylanilino)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide;hydroiodide
CID 111048129
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111809135
3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058777
2-[3-[[[ethylamino-[(2-methoxyphenyl)methylamino]methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111763120
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111809136
2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801806
N-ethyl-2-[3-[[[ethylamino-[1-(3-fluoro-4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111382458
N-[3-[2-[[amino-(2-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111101620

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide?
The IUPAC name of 2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide (CID 111074576) is 2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide.
What is the SMILES notation for 2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide?
The canonical SMILES for 2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide is CCNC(=O)COc1cccc(C/N=C(\N)Nc2ccccc2OC)c1.I.
What is the InChIKey of 2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide?
The InChIKey is ASZMHOVISHBTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3.HI/c1-3-21-18(24)13-26-15-8-6-7-14(11-15)12-22-19(20)23-16-9-4-5-10-17(16)25-2;/h4-11H,3,12-13H2,1-2H3,(H,21,24)(H3,20,22,23);1H.
What are the key properties of 2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide?
2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide has a molecular weight of 484.34 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]phenoxy]-N-ethylacetamide;hydroiodide is sourced from PubChem (CID 111074576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).