2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide

C20H27IN4O2 — CID 111289754

IUPAC2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)N(C)Cc1ccc(C)cc1.I
InChIInChI=1S/C20H26N4O2.HI/c1-4-21-20(24(3)14-16-7-5-15(2)6-8-16)22-13-19(26)23-17-9-11-18(25)12-10-17;/h5-12,25H,4,13-14H2,1-3H3,(H,21,22)(H,23,26);1H
InChIKeyLSVTYYQWYALDQF-UHFFFAOYSA-N
MW482.37 g/mol
LogP3.35
Rot. Bonds6

About 2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide

2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide (PubChem CID 111289754) has the molecular formula C20H27IN4O2 and a molecular weight of 482.37 g/mol. Its IUPAC name is 2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
PubChem CID111289754
Molecular FormulaC20H27IN4O2
Molecular Weight482.37 g/mol
Exact Mass482.12
IUPAC Name2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)N(C)Cc1ccc(C)cc1.I
InChIInChI=1S/C20H26N4O2.HI/c1-4-21-20(24(3)14-16-7-5-15(2)6-8-16)22-13-19(26)23-17-9-11-18(25)12-10-17;/h5-12,25H,4,13-14H2,1-3H3,(H,21,22)(H,23,26);1H
InChIKeyLSVTYYQWYALDQF-UHFFFAOYSA-N
XLogP3.35
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.37
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

2-[[[(5-chlorothiophen-2-yl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111363288
2,3-diethyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111288888
N-[2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111288968
2-[[ethylamino-[(4-ethylphenyl)methyl-methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111283428
3-ethyl-1-methyl-1-[(4-methylphenyl)methyl]-2-prop-2-ynylguanidine;hydroiodide
CID 111289888
4-[[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111289196
N-tert-butyl-2-[[ethylamino-[(4-fluorophenyl)methyl-methylamino]methylidene]amino]acetamide;hydroiodide
CID 111306891
2-[[[(4-bromophenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 111292940
2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 109424355
2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111275416
methyl 5-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]pentanoate;hydroiodide
CID 111288874
2-[[[2-(3-chlorophenoxy)ethyl-methylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111419227

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide (CID 111289754) is 2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1ccc(O)cc1)N(C)Cc1ccc(C)cc1.I.
What is the InChIKey of 2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
The InChIKey is LSVTYYQWYALDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.HI/c1-4-21-20(24(3)14-16-7-5-15(2)6-8-16)22-13-19(26)23-17-9-11-18(25)12-10-17;/h5-12,25H,4,13-14H2,1-3H3,(H,21,22)(H,23,26);1H.
What are the key properties of 2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide?
2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide has a molecular weight of 482.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide is sourced from PubChem (CID 111289754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).