N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide

C19H25IN4O2 — CID 111055676

IUPACN-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
SMILESCOc1ccc(C(=O)NCC/N=C(\N)Nc2cc(C)cc(C)c2)cc1.I
InChIInChI=1S/C19H24N4O2.HI/c1-13-10-14(2)12-16(11-13)23-19(20)22-9-8-21-18(24)15-4-6-17(25-3)7-5-15;/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)(H3,20,22,23);1H
InChIKeyNGBDTMLMFAHZNG-UHFFFAOYSA-N
MW468.34 g/mol
LogP3.09
Rot. Bonds6

About N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide

N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide (PubChem CID 111055676) has the molecular formula C19H25IN4O2 and a molecular weight of 468.34 g/mol. Its IUPAC name is N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
PubChem CID111055676
Molecular FormulaC19H25IN4O2
Molecular Weight468.34 g/mol
Exact Mass468.10
IUPAC NameN-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
SMILESCOc1ccc(C(=O)NCC/N=C(\N)Nc2cc(C)cc(C)c2)cc1.I
InChIInChI=1S/C19H24N4O2.HI/c1-13-10-14(2)12-16(11-13)23-19(20)22-9-8-21-18(24)15-4-6-17(25-3)7-5-15;/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)(H3,20,22,23);1H
InChIKeyNGBDTMLMFAHZNG-UHFFFAOYSA-N
XLogP3.09
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.34
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-(diaminomethylideneamino)ethyl]-4-methoxybenzamide;hydroiodide
CID 110918638
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042937
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042938
2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111083886
N-[2-[[amino-(3,4-dimethylanilino)methylidene]amino]ethyl]-4-bromobenzamide;hydroiodide
CID 111075534
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111094961
N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042989
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111042777
N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042762
4-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111048475
N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055784
N-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651159

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide (CID 111055676) is N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide is COc1ccc(C(=O)NCC/N=C(\N)Nc2cc(C)cc(C)c2)cc1.I.
What is the InChIKey of N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide?
The InChIKey is NGBDTMLMFAHZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.HI/c1-13-10-14(2)12-16(11-13)23-19(20)22-9-8-21-18(24)15-4-6-17(25-3)7-5-15;/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)(H3,20,22,23);1H.
What are the key properties of N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide?
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide has a molecular weight of 468.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide is sourced from PubChem (CID 111055676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).