3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide

C19H25IN4O — CID 111092279

IUPAC3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCC(=O)NCc2ccccc2)cc1.I
InChIInChI=1S/C19H24N4O.HI/c1-2-15-8-10-17(11-9-15)23-19(20)21-13-12-18(24)22-14-16-6-4-3-5-7-16;/h3-11H,2,12-14H2,1H3,(H,22,24)(H3,20,21,23);1H
InChIKeyGXQXHBXRRIMDSL-UHFFFAOYSA-N
MW452.34 g/mol
LogP3.30
Rot. Bonds7

About 3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide

3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide (PubChem CID 111092279) has the molecular formula C19H25IN4O and a molecular weight of 452.34 g/mol. Its IUPAC name is 3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide
PubChem CID111092279
Molecular FormulaC19H25IN4O
Molecular Weight452.34 g/mol
Exact Mass452.11
IUPAC Name3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCC(=O)NCc2ccccc2)cc1.I
InChIInChI=1S/C19H24N4O.HI/c1-2-15-8-10-17(11-9-15)23-19(20)21-13-12-18(24)22-14-16-6-4-3-5-7-16;/h3-11H,2,12-14H2,1H3,(H,22,24)(H3,20,21,23);1H
InChIKeyGXQXHBXRRIMDSL-UHFFFAOYSA-N
XLogP3.30
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide
CID 111077891
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CID 111090956
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027931
N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide
CID 110916950
3-[[amino(anilino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110913325
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042802
methyl 5-[[amino-(4-ethylanilino)methylidene]amino]pentanoate;hydroiodide
CID 111086128
propan-2-yl 3-[[amino-(4-ethylanilino)methylidene]amino]propanoate
CID 111037110
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CID 111033070
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-[4-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]butanamide
CID 110953088

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide?
The IUPAC name of 3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide (CID 111092279) is 3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide?
The canonical SMILES for 3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide is CCc1ccc(N/C(N)=N/CCC(=O)NCc2ccccc2)cc1.I.
What is the InChIKey of 3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide?
The InChIKey is GXQXHBXRRIMDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.HI/c1-2-15-8-10-17(11-9-15)23-19(20)21-13-12-18(24)22-14-16-6-4-3-5-7-16;/h3-11H,2,12-14H2,1H3,(H,22,24)(H3,20,21,23);1H.
What are the key properties of 3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide?
3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide has a molecular weight of 452.34 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(4-ethylanilino)methylidene]amino]-N-benzylpropanamide;hydroiodide is sourced from PubChem (CID 111092279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).