5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide

C19H27IN4O2 — CID 111908184

IUPAC5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C(N)=O)o1)NC(C)CCc1ccccc1.I
InChIInChI=1S/C19H26N4O2.HI/c1-3-21-19(22-13-16-11-12-17(25-16)18(20)24)23-14(2)9-10-15-7-5-4-6-8-15;/h4-8,11-12,14H,3,9-10,13H2,1-2H3,(H2,20,24)(H2,21,22,23);1H
InChIKeyOTBIBQTUQOOURN-UHFFFAOYSA-N
MW470.36 g/mol
LogP3.07
Rot. Bonds8

About 5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide

5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide (PubChem CID 111908184) has the molecular formula C19H27IN4O2 and a molecular weight of 470.36 g/mol. Its IUPAC name is 5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide.

Molecular Properties

Compound Name5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
PubChem CID111908184
Molecular FormulaC19H27IN4O2
Molecular Weight470.36 g/mol
Exact Mass470.12
IUPAC Name5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C(N)=O)o1)NC(C)CCc1ccccc1.I
InChIInChI=1S/C19H26N4O2.HI/c1-3-21-19(22-13-16-11-12-17(25-16)18(20)24)23-14(2)9-10-15-7-5-4-6-8-15;/h4-8,11-12,14H,3,9-10,13H2,1-2H3,(H2,20,24)(H2,21,22,23);1H
InChIKeyOTBIBQTUQOOURN-UHFFFAOYSA-N
XLogP3.07
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 53.07
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-[[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908580
5-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]furan-2-carboxamide
CID 111908527
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172196
5-[[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 111908621
1-ethyl-3-(4-phenylbutan-2-yl)-2-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111171672
5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908128
5-[[[ethylamino-(prop-2-enylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 111908039
N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide
CID 111171748
5-[[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908382
1-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172534
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-phenylbutan-2-yl)guanidine
CID 111171873
5-[[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 109492710

Frequently Asked Questions

What is the IUPAC name of 5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide?
The IUPAC name of 5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide (CID 111908184) is 5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide.
What is the SMILES notation for 5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide?
The canonical SMILES for 5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide is CCN/C(=N\Cc1ccc(C(N)=O)o1)NC(C)CCc1ccccc1.I.
What is the InChIKey of 5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide?
The InChIKey is OTBIBQTUQOOURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.HI/c1-3-21-19(22-13-16-11-12-17(25-16)18(20)24)23-14(2)9-10-15-7-5-4-6-8-15;/h4-8,11-12,14H,3,9-10,13H2,1-2H3,(H2,20,24)(H2,21,22,23);1H.
What are the key properties of 5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide?
5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide has a molecular weight of 470.36 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide is sourced from PubChem (CID 111908184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).