N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide

C12H19IN4O — CID 110917267

IUPACN-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide
SMILESC/N=C(\NC)NCCNC(=O)c1ccccc1.I
InChIInChI=1S/C12H18N4O.HI/c1-13-12(14-2)16-9-8-15-11(17)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3,(H,15,17)(H2,13,14,16);1H
InChIKeyLKMULDLUMDKJIS-UHFFFAOYSA-N
MW362.22 g/mol
LogP0.83
Rot. Bonds4

About N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide

N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide (PubChem CID 110917267) has the molecular formula C12H19IN4O and a molecular weight of 362.22 g/mol. Its IUPAC name is N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide
PubChem CID110917267
Molecular FormulaC12H19IN4O
Molecular Weight362.22 g/mol
Exact Mass362.06
IUPAC NameN-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide
SMILESC/N=C(\NC)NCCNC(=O)c1ccccc1.I
InChIInChI=1S/C12H18N4O.HI/c1-13-12(14-2)16-9-8-15-11(17)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3,(H,15,17)(H2,13,14,16);1H
InChIKeyLKMULDLUMDKJIS-UHFFFAOYSA-N
XLogP0.83
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111136020
4-bromo-N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide
CID 110917998
N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 110917981
N-[3-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]propyl]benzamide;hydroiodide
CID 110966053
N-[2-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111257618
N-[3-[(N,N'-dimethylcarbamimidoyl)amino]propyl]-3-fluorobenzamide;hydroiodide
CID 111117528
N-[2-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111222186
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
N-[2-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111208397
N-[2-[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111358335
N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 110914733
N-[3-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111258358

Frequently Asked Questions

What is the IUPAC name of N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide?
The IUPAC name of N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide (CID 110917267) is N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide.
What is the SMILES notation for N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide?
The canonical SMILES for N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide is C/N=C(\NC)NCCNC(=O)c1ccccc1.I.
What is the InChIKey of N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide?
The InChIKey is LKMULDLUMDKJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.HI/c1-13-12(14-2)16-9-8-15-11(17)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3,(H,15,17)(H2,13,14,16);1H.
What are the key properties of N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide?
N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide has a molecular weight of 362.22 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide is sourced from PubChem (CID 110917267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).