N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide

C18H23IN4O3 — CID 111101624

IUPACN-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCOc2cccc(NC(C)=O)c2)cc1.I
InChIInChI=1S/C18H22N4O3.HI/c1-13(23)21-15-4-3-5-17(12-15)25-11-10-20-18(19)22-14-6-8-16(24-2)9-7-14;/h3-9,12H,10-11H2,1-2H3,(H,21,23)(H3,19,20,22);1H
InChIKeyBAJRYEVISUAHGU-UHFFFAOYSA-N
MW470.31 g/mol
LogP3.08
Rot. Bonds7

About N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide

N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide (PubChem CID 111101624) has the molecular formula C18H23IN4O3 and a molecular weight of 470.31 g/mol. Its IUPAC name is N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
PubChem CID111101624
Molecular FormulaC18H23IN4O3
Molecular Weight470.31 g/mol
Exact Mass470.08
IUPAC NameN-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCOc2cccc(NC(C)=O)c2)cc1.I
InChIInChI=1S/C18H22N4O3.HI/c1-13(23)21-15-4-3-5-17(12-15)25-11-10-20-18(19)22-14-6-8-16(24-2)9-7-14;/h3-9,12H,10-11H2,1-2H3,(H,21,23)(H3,19,20,22);1H
InChIKeyBAJRYEVISUAHGU-UHFFFAOYSA-N
XLogP3.08
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.31
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide
CID 111101623
N-[3-[2-[[amino-(2-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111101620
2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
CID 100667411
N-[3-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethoxy]phenyl]acetamide
CID 111101685
2-[2-(3-fluorophenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111057887
1-(3-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 111031972
2-[2-(4-tert-butylphenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111032367
2-[2-(2,4-difluorophenoxy)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111752173
2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111061365
2-[2-(2-butoxyethoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111821840
2-[2-(2-tert-butylphenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111807687
2-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111072001

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide?
The IUPAC name of N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide (CID 111101624) is N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide.
What is the SMILES notation for N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide?
The canonical SMILES for N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide is COc1ccc(N/C(N)=N/CCOc2cccc(NC(C)=O)c2)cc1.I.
What is the InChIKey of N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide?
The InChIKey is BAJRYEVISUAHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.HI/c1-13(23)21-15-4-3-5-17(12-15)25-11-10-20-18(19)22-14-6-8-16(24-2)9-7-14;/h3-9,12H,10-11H2,1-2H3,(H,21,23)(H3,19,20,22);1H.
What are the key properties of N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide?
N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide has a molecular weight of 470.31 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide is sourced from PubChem (CID 111101624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).