2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide

C13H20N4O3 — CID 111032082

IUPAC2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C(\N)Nc1cc(OC)ccc1OC
InChIInChI=1S/C13H20N4O3/c1-4-15-12(18)8-16-13(14)17-10-7-9(19-2)5-6-11(10)20-3/h5-7H,4,8H2,1-3H3,(H,15,18)(H3,14,16,17)
InChIKeyBQMJDNANAIPHBZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.57
Rot. Bonds6

About 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide

2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide (PubChem CID 111032082) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide
PubChem CID111032082
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C(\N)Nc1cc(OC)ccc1OC
InChIInChI=1S/C13H20N4O3/c1-4-15-12(18)8-16-13(14)17-10-7-9(19-2)5-6-11(10)20-3/h5-7H,4,8H2,1-3H3,(H,15,18)(H3,14,16,17)
InChIKeyBQMJDNANAIPHBZ-UHFFFAOYSA-N
XLogP0.57
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111031749
1-(2,5-dimethoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058327
(3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide
CID 42588010
N-[2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111095002
1-(2,5-dimethoxyphenyl)-2-prop-2-enylguanidine
CID 111023982
2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111022703
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
CID 111023903
2-but-3-ynyl-1-(2,5-dimethoxyphenyl)guanidine
CID 119147803
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 111076580

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide?
The IUPAC name of 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide (CID 111032082) is 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide is CCNC(=O)C/N=C(\N)Nc1cc(OC)ccc1OC.
What is the InChIKey of 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide?
The InChIKey is BQMJDNANAIPHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-15-12(18)8-16-13(14)17-10-7-9(19-2)5-6-11(10)20-3/h5-7H,4,8H2,1-3H3,(H,15,18)(H3,14,16,17).
What are the key properties of 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide?
2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide has a molecular weight of 280.33 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide is sourced from PubChem (CID 111032082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).