N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide

C18H22N4O2 — CID 111075611

IUPACN-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide
SMILESCCc1cccc(N/C(N)=N/CCNC(=O)c2ccccc2O)c1
InChIInChI=1S/C18H22N4O2/c1-2-13-6-5-7-14(12-13)22-18(19)21-11-10-20-17(24)15-8-3-4-9-16(15)23/h3-9,12,23H,2,10-11H2,1H3,(H,20,24)(H3,19,21,22)
InChIKeyGTBRYQHUDCDKST-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.11
Rot. Bonds6

About N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide

N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide (PubChem CID 111075611) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide
PubChem CID111075611
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide
SMILESCCc1cccc(N/C(N)=N/CCNC(=O)c2ccccc2O)c1
InChIInChI=1S/C18H22N4O2/c1-2-13-6-5-7-14(12-13)22-18(19)21-11-10-20-17(24)15-8-3-4-9-16(15)23/h3-9,12,23H,2,10-11H2,1H3,(H,20,24)(H3,19,21,22)
InChIKeyGTBRYQHUDCDKST-UHFFFAOYSA-N
XLogP2.11
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.11
H-Bond Donors ≤ 54
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'}

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Related Compounds

N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111094994
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
CID 111043687
N-[2-[[amino(anilino)methylidene]amino]ethyl]-2-chlorobenzamide
CID 110918735
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095574
1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111069292
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612
N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111817723
methyl 5-[[amino-(3-ethylanilino)methylidene]amino]pentanoate
CID 111086133
2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(3-ethylphenyl)guanidine
CID 111810636
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398
1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031276

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide (CID 111075611) is N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide is CCc1cccc(N/C(N)=N/CCNC(=O)c2ccccc2O)c1.
What is the InChIKey of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide?
The InChIKey is GTBRYQHUDCDKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-13-6-5-7-14(12-13)22-18(19)21-11-10-20-17(24)15-8-3-4-9-16(15)23/h3-9,12,23H,2,10-11H2,1H3,(H,20,24)(H3,19,21,22).
What are the key properties of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide?
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 111075611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).