5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide

C12H18N4O2 — CID 111908039

IUPAC5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide
SMILESC=CCN/C(=N/Cc1ccc(C(N)=O)o1)NCC
InChIInChI=1S/C12H18N4O2/c1-3-7-15-12(14-4-2)16-8-9-5-6-10(18-9)11(13)17/h3,5-6H,1,4,7-8H2,2H3,(H2,13,17)(H2,14,15,16)
InChIKeyCQTNAUHKCSUDLB-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.62
Rot. Bonds6

About 5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide

5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide (PubChem CID 111908039) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide
PubChem CID111908039
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide
SMILESC=CCN/C(=N/Cc1ccc(C(N)=O)o1)NCC
InChIInChI=1S/C12H18N4O2/c1-3-7-15-12(14-4-2)16-8-9-5-6-10(18-9)11(13)17/h3,5-6H,1,4,7-8H2,2H3,(H2,13,17)(H2,14,15,16)
InChIKeyCQTNAUHKCSUDLB-UHFFFAOYSA-N
XLogP0.62
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

5-[[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]methyl]furan-2-carboxamide
CID 109498764
5-[[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]methyl]furan-2-carboxamide
CID 109484199
5-[[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 111908621
5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908128
5-[[[N-ethyl-N'-[(2-prop-2-enoxyphenyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111982936
5-[[[N-ethyl-N'-[(4-fluorophenyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908312
5-[[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908580
5-[[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 109492710
5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide
CID 111908527
5-[[[[2-(1,3-benzodioxol-5-yl)ethylamino]-(ethylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 111908639
5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908184
5-[[[N'-[(3,4-dimethoxyphenyl)methyl]-N-ethylcarbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908254

Frequently Asked Questions

What is the IUPAC name of 5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide?
The IUPAC name of 5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide (CID 111908039) is 5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide is C=CCN/C(=N/Cc1ccc(C(N)=O)o1)NCC.
What is the InChIKey of 5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide?
The InChIKey is CQTNAUHKCSUDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-7-15-12(14-4-2)16-8-9-5-6-10(18-9)11(13)17/h3,5-6H,1,4,7-8H2,2H3,(H2,13,17)(H2,14,15,16).
What are the key properties of 5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide?
5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 111908039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).