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

C16H24N4O — CID 111093905

IUPAC2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)C/N=C(\N)NCC2CCC2)c1
InChIInChI=1S/C16H24N4O/c1-2-12-5-4-8-14(9-12)20-15(21)11-19-16(17)18-10-13-6-3-7-13/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,20,21)(H3,17,18,19)
InChIKeyJUDMEILLWIFMGN-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.89
Rot. Bonds6

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

2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide (PubChem CID 111093905) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
PubChem CID111093905
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)C/N=C(\N)NCC2CCC2)c1
InChIInChI=1S/C16H24N4O/c1-2-12-5-4-8-14(9-12)20-15(21)11-19-16(17)18-10-13-6-3-7-13/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,20,21)(H3,17,18,19)
InChIKeyJUDMEILLWIFMGN-UHFFFAOYSA-N
XLogP1.89
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.89
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'}

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Related Compounds

2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 110930350
2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093856
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095574
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-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111721623
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930365
N-(cyclopropylmethyl)-2-(3-ethylanilino)acetamide
CID 28584355
N-[4-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 111061536
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111028356

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide (CID 111093905) is 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)C/N=C(\N)NCC2CCC2)c1.
What is the InChIKey of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide?
The InChIKey is JUDMEILLWIFMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-12-5-4-8-14(9-12)20-15(21)11-19-16(17)18-10-13-6-3-7-13/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,20,21)(H3,17,18,19).
What are the key properties of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide?
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 111093905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).