2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide

C14H20N4O — CID 110930350

IUPAC2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
SMILESC=CCN/C(N)=N/CC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C14H20N4O/c1-3-8-16-14(15)17-10-13(19)18-12-7-5-6-11(4-2)9-12/h3,5-7,9H,1,4,8,10H2,2H3,(H,18,19)(H3,15,16,17)
InChIKeyXUEZASISKJTRCT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.28
Rot. Bonds6

About 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide

2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide (PubChem CID 110930350) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
PubChem CID110930350
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
SMILESC=CCN/C(N)=N/CC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C14H20N4O/c1-3-8-16-14(15)17-10-13(19)18-12-7-5-6-11(4-2)9-12/h3,5-7,9H,1,4,8,10H2,2H3,(H,18,19)(H3,15,16,17)
InChIKeyXUEZASISKJTRCT-UHFFFAOYSA-N
XLogP1.28
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.28
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093856
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093905
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
2-[[amino-(4-methoxyanilino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093852
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930363
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111028356
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111721623
2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide
CID 111073617
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 110965772
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093861

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide (CID 110930350) is 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide is C=CCN/C(N)=N/CC(=O)Nc1cccc(CC)c1.
What is the InChIKey of 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide?
The InChIKey is XUEZASISKJTRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-8-16-14(15)17-10-13(19)18-12-7-5-6-11(4-2)9-12/h3,5-7,9H,1,4,8,10H2,2H3,(H,18,19)(H3,15,16,17).
What are the key properties of 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide?
2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 110930350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).