N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide

C11H25IN4O2 — CID 111180580

IUPACN-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide
SMILESC/N=C(/NCC(=O)NCCOC)NCC(C)C.I
InChIInChI=1S/C11H24N4O2.HI/c1-9(2)7-14-11(12-3)15-8-10(16)13-5-6-17-4;/h9H,5-8H2,1-4H3,(H,13,16)(H2,12,14,15);1H
InChIKeyHKQXTWXNPWWHIE-UHFFFAOYSA-N
MW372.25 g/mol
LogP0.19
Rot. Bonds7

About N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide

N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide (PubChem CID 111180580) has the molecular formula C11H25IN4O2 and a molecular weight of 372.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide
PubChem CID111180580
Molecular FormulaC11H25IN4O2
Molecular Weight372.25 g/mol
Exact Mass372.10
IUPAC NameN-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide
SMILESC/N=C(/NCC(=O)NCCOC)NCC(C)C.I
InChIInChI=1S/C11H24N4O2.HI/c1-9(2)7-14-11(12-3)15-8-10(16)13-5-6-17-4;/h9H,5-8H2,1-4H3,(H,13,16)(H2,12,14,15);1H
InChIKeyHKQXTWXNPWWHIE-UHFFFAOYSA-N
XLogP0.19
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 50.19
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-methoxyethyl)-2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111935274
N-(2-methoxyethyl)-2-[[N'-methyl-N-[2-(4-methylphenyl)propyl]carbamimidoyl]amino]acetamide
CID 111622338
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
N-(2-methoxyethyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111683041
2-[[ethylamino-(2-methylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111180944
1-(3-methoxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 110975003
tert-butyl N-[2-[[N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111884421
N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111415662
N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide
CID 111212331
N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]acetamide
CID 111415663
2-[[N'-methyl-N-[2-(3-methylbutoxy)ethyl]carbamimidoyl]amino]-N-propylacetamide
CID 111970986
N-(2-methoxyethyl)-2-[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]acetamide
CID 111939601

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide?
The IUPAC name of N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide (CID 111180580) is N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide is C/N=C(/NCC(=O)NCCOC)NCC(C)C.I.
What is the InChIKey of N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide?
The InChIKey is HKQXTWXNPWWHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2.HI/c1-9(2)7-14-11(12-3)15-8-10(16)13-5-6-17-4;/h9H,5-8H2,1-4H3,(H,13,16)(H2,12,14,15);1H.
What are the key properties of N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide?
N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide has a molecular weight of 372.25 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide is sourced from PubChem (CID 111180580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).