2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide

C15H25IN4O — CID 111093856

IUPAC2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
SMILESCCCCN/C(N)=N/CC(=O)Nc1cccc(CC)c1.I
InChIInChI=1S/C15H24N4O.HI/c1-3-5-9-17-15(16)18-11-14(20)19-13-8-6-7-12(4-2)10-13;/h6-8,10H,3-5,9,11H2,1-2H3,(H,19,20)(H3,16,17,18);1H
InChIKeyFMKVJLHAXBBHLG-UHFFFAOYSA-N
MW404.30 g/mol
LogP2.51
Rot. Bonds7

About 2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide

2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide (PubChem CID 111093856) has the molecular formula C15H25IN4O and a molecular weight of 404.30 g/mol. Its IUPAC name is 2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
PubChem CID111093856
Molecular FormulaC15H25IN4O
Molecular Weight404.30 g/mol
Exact Mass404.11
IUPAC Name2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
SMILESCCCCN/C(N)=N/CC(=O)Nc1cccc(CC)c1.I
InChIInChI=1S/C15H24N4O.HI/c1-3-5-9-17-15(16)18-11-14(20)19-13-8-6-7-12(4-2)10-13;/h6-8,10H,3-5,9,11H2,1-2H3,(H,19,20)(H3,16,17,18);1H
InChIKeyFMKVJLHAXBBHLG-UHFFFAOYSA-N
XLogP2.51
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 110930350
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930363
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093905
2-[[amino-(4-methoxyanilino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093852
(3-ethylphenyl)urea;N-propylbutan-1-amine
CID 70474371
2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide
CID 111073617
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111028356
N-(3-ethylphenyl)decanamide
CID 4053743
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 110965772
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide (CID 111093856) is 2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide is CCCCN/C(N)=N/CC(=O)Nc1cccc(CC)c1.I.
What is the InChIKey of 2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide?
The InChIKey is FMKVJLHAXBBHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.HI/c1-3-5-9-17-15(16)18-11-14(20)19-13-8-6-7-12(4-2)10-13;/h6-8,10H,3-5,9,11H2,1-2H3,(H,19,20)(H3,16,17,18);1H.
What are the key properties of 2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide?
2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide has a molecular weight of 404.30 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide is sourced from PubChem (CID 111093856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).