potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide

C19H41KN4O3S3 — CID 145204140

IUPACpotassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide
SMILESCCCCNCC(=O)NCC(C)C.CCCNC(=O)C([N-]CCCO)SSSC.[K+]
InChIInChI=1S/C10H22N2O.C9H19N2O2S3.K/c1-4-5-6-11-8-10(13)12-7-9(2)3;1-3-5-10-8(13)9(15-16-14-2)11-6-4-7-12;/h9,11H,4-8H2,1-3H3,(H,12,13);9,12H,3-7H2,1-2H3,(H,10,13);/q;-1;+1
InChIKeyDMZSYPMACNYHMP-UHFFFAOYSA-N
MW508.86 g/mol
LogP0.41
Rot. Bonds17

About potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide

potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide (PubChem CID 145204140) has the molecular formula C19H41KN4O3S3 and a molecular weight of 508.86 g/mol. Its IUPAC name is potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide.

Molecular Properties

Compound Namepotassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide
PubChem CID145204140
Molecular FormulaC19H41KN4O3S3
Molecular Weight508.86 g/mol
Exact Mass508.20
IUPAC Namepotassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide
SMILESCCCCNCC(=O)NCC(C)C.CCCNC(=O)C([N-]CCCO)SSSC.[K+]
InChIInChI=1S/C10H22N2O.C9H19N2O2S3.K/c1-4-5-6-11-8-10(13)12-7-9(2)3;1-3-5-10-8(13)9(15-16-14-2)11-6-4-7-12;/h9,11H,4-8H2,1-3H3,(H,12,13);9,12H,3-7H2,1-2H3,(H,10,13);/q;-1;+1
InChIKeyDMZSYPMACNYHMP-UHFFFAOYSA-N
XLogP0.41
TPSA104.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.86
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide with MolForge

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Related Compounds

2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide
CID 43389745
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide
CID 106310465
N-pentyl-2-(pentylamino)acetamide
CID 109005932
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
ethyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]butanoate
CID 60648237
2-(3-methylbutylamino)-N-pentylacetamide
CID 109005799
N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide
CID 115598342
2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide
CID 106211958
2-(2-ethylhexylamino)-N-(2-methylpropyl)acetamide
CID 112683030
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 112685288
2-[(4-hydroxy-2-methylbutyl)amino]-N-propylacetamide
CID 66092546

Frequently Asked Questions

What is the IUPAC name of potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide?
The IUPAC name of potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide (CID 145204140) is potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide.
What is the SMILES notation for potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide?
The canonical SMILES for potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide is CCCCNCC(=O)NCC(C)C.CCCNC(=O)C([N-]CCCO)SSSC.[K+].
What is the InChIKey of potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide?
The InChIKey is DMZSYPMACNYHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C9H19N2O2S3.K/c1-4-5-6-11-8-10(13)12-7-9(2)3;1-3-5-10-8(13)9(15-16-14-2)11-6-4-7-12;/h9,11H,4-8H2,1-3H3,(H,12,13);9,12H,3-7H2,1-2H3,(H,10,13);/q;-1;+1.
What are the key properties of potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide?
potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide has a molecular weight of 508.86 g/mol, XLogP of 0.41, 17 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-(butylamino)-N-(2-methylpropyl)acetamide;3-hydroxypropyl-[1-(methyltrisulfanyl)-2-oxo-2-(propylamino)ethyl]azanide is sourced from PubChem (CID 145204140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).