N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide

C12H19IN4O2 — CID 111042845

IUPACN-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCNC(=O)c1ccco1.I
InChIInChI=1S/C12H18N4O2.HI/c1-9(2)8-16-12(13)15-6-5-14-11(17)10-4-3-7-18-10;/h3-4,7H,1,5-6,8H2,2H3,(H,14,17)(H3,13,15,16);1H
InChIKeyANXKIGMJRLMMKL-UHFFFAOYSA-N
MW378.21 g/mol
LogP1.11
Rot. Bonds6

About N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide

N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide (PubChem CID 111042845) has the molecular formula C12H19IN4O2 and a molecular weight of 378.21 g/mol. Its IUPAC name is N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
PubChem CID111042845
Molecular FormulaC12H19IN4O2
Molecular Weight378.21 g/mol
Exact Mass378.06
IUPAC NameN-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCNC(=O)c1ccco1.I
InChIInChI=1S/C12H18N4O2.HI/c1-9(2)8-16-12(13)15-6-5-14-11(17)10-4-3-7-18-10;/h3-4,7H,1,5-6,8H2,2H3,(H,14,17)(H3,13,15,16);1H
InChIKeyANXKIGMJRLMMKL-UHFFFAOYSA-N
XLogP1.11
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 51.11
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110914716
N-[2-[(N'-octylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042780
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
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042802
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042762
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111042777
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide?
The IUPAC name of N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide (CID 111042845) is N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide?
The canonical SMILES for N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide is C=C(C)C/N=C(\N)NCCNC(=O)c1ccco1.I.
What is the InChIKey of N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide?
The InChIKey is ANXKIGMJRLMMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.HI/c1-9(2)8-16-12(13)15-6-5-14-11(17)10-4-3-7-18-10;/h3-4,7H,1,5-6,8H2,2H3,(H,14,17)(H3,13,15,16);1H.
What are the key properties of N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide?
N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide has a molecular weight of 378.21 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide is sourced from PubChem (CID 111042845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).