N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide

C16H29IN4O2 — CID 111042780

IUPACN-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESCCCCCCCC/N=C(\N)NCCNC(=O)c1ccco1.I
InChIInChI=1S/C16H28N4O2.HI/c1-2-3-4-5-6-7-10-19-16(17)20-12-11-18-15(21)14-9-8-13-22-14;/h8-9,13H,2-7,10-12H2,1H3,(H,18,21)(H3,17,19,20);1H
InChIKeyGHMRNFJYIWBCTH-UHFFFAOYSA-N
MW436.34 g/mol
LogP2.89
Rot. Bonds11

About N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide

N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide (PubChem CID 111042780) has the molecular formula C16H29IN4O2 and a molecular weight of 436.34 g/mol. Its IUPAC name is N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
PubChem CID111042780
Molecular FormulaC16H29IN4O2
Molecular Weight436.34 g/mol
Exact Mass436.13
IUPAC NameN-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESCCCCCCCC/N=C(\N)NCCNC(=O)c1ccco1.I
InChIInChI=1S/C16H28N4O2.HI/c1-2-3-4-5-6-7-10-19-16(17)20-12-11-18-15(21)14-9-8-13-22-14;/h8-9,13H,2-7,10-12H2,1H3,(H,18,21)(H3,17,19,20);1H
InChIKeyGHMRNFJYIWBCTH-UHFFFAOYSA-N
XLogP2.89
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111160628
N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110914716
N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042845
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
CID 111075603
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042782
N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 56801664
2-fluoro-N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]benzamide
CID 111075665
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042802
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
N-[3-[[amino-(octylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817772

Frequently Asked Questions

What is the IUPAC name of N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide?
The IUPAC name of N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide (CID 111042780) is N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide is CCCCCCCC/N=C(\N)NCCNC(=O)c1ccco1.I.
What is the InChIKey of N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide?
The InChIKey is GHMRNFJYIWBCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2.HI/c1-2-3-4-5-6-7-10-19-16(17)20-12-11-18-15(21)14-9-8-13-22-14;/h8-9,13H,2-7,10-12H2,1H3,(H,18,21)(H3,17,19,20);1H.
What are the key properties of N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide?
N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide has a molecular weight of 436.34 g/mol, XLogP of 2.89, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide is sourced from PubChem (CID 111042780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).