potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide

C20H34KNO5 — CID 177357246

IUPACpotassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide
SMILES[CH2-]OCCOCCOCCC(=O)NC12CCC(C(=O)C(C)C)(CC1)CC2.[K+]
InChIInChI=1S/C20H34NO5.K/c1-16(2)18(23)19-5-8-20(9-6-19,10-7-19)21-17(22)4-11-25-14-15-26-13-12-24-3;/h16H,3-15H2,1-2H3,(H,21,22);/q-1;+1
InChIKeyOQSRBSLSMCREQN-UHFFFAOYSA-N
MW407.59 g/mol
LogP-0.34
Rot. Bonds12

About potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide

potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide (PubChem CID 177357246) has the molecular formula C20H34KNO5 and a molecular weight of 407.59 g/mol. Its IUPAC name is potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide.

Molecular Properties

Compound Namepotassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide
PubChem CID177357246
Molecular FormulaC20H34KNO5
Molecular Weight407.59 g/mol
Exact Mass407.21
IUPAC Namepotassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide
SMILES[CH2-]OCCOCCOCCC(=O)NC12CCC(C(=O)C(C)C)(CC1)CC2.[K+]
InChIInChI=1S/C20H34NO5.K/c1-16(2)18(23)19-5-8-20(9-6-19,10-7-19)21-17(22)4-11-25-14-15-26-13-12-24-3;/h16H,3-15H2,1-2H3,(H,21,22);/q-1;+1
InChIKeyOQSRBSLSMCREQN-UHFFFAOYSA-N
XLogP-0.34
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.59
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide with MolForge

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Related Compounds

4-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]bicyclo[2.2.2]octane-1-carbonyl fluoride
CID 178126351
1-[3-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid
CID 115910125
N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium
CID 153336214
1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid
CID 120539104
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119567939
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide
CID 172598055
3-ethoxy-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764765
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide
CID 177120957
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 176578249
N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
CID 156820477
3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
CID 154677786

Frequently Asked Questions

What is the IUPAC name of potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide?
The IUPAC name of potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide (CID 177357246) is potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide.
What is the SMILES notation for potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide?
The canonical SMILES for potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide is [CH2-]OCCOCCOCCC(=O)NC12CCC(C(=O)C(C)C)(CC1)CC2.[K+].
What is the InChIKey of potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide?
The InChIKey is OQSRBSLSMCREQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34NO5.K/c1-16(2)18(23)19-5-8-20(9-6-19,10-7-19)21-17(22)4-11-25-14-15-26-13-12-24-3;/h16H,3-15H2,1-2H3,(H,21,22);/q-1;+1.
What are the key properties of potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide?
potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide has a molecular weight of 407.59 g/mol, XLogP of -0.34, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[2-(2-methanidyloxyethoxy)ethoxy]-N-[4-(2-methylpropanoyl)-1-bicyclo[2.2.2]octanyl]propanamide is sourced from PubChem (CID 177357246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).