potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one

C26H52KN5O5 — CID 176958705

IUPACpotassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one
SMILESCC(CC1CCNC1=O)N[O-].CCCCC(C)C(=O)NC(C(=O)N1CCCC1)C(C)C.CCONC.[K+]
InChIInChI=1S/C16H30N2O2.C7H13N2O2.C3H9NO.K/c1-5-6-9-13(4)15(19)17-14(12(2)3)16(20)18-10-7-8-11-18;1-5(9-11)4-6-2-3-8-7(6)10;1-3-5-4-2;/h12-14H,5-11H2,1-4H3,(H,17,19);5-6,9H,2-4H2,1H3,(H,8,10);4H,3H2,1-2H3;/q;-1;;+1
InChIKeyGZILZOVKMZWFMF-UHFFFAOYSA-N
MW553.83 g/mol
LogP-0.27
Rot. Bonds12

About potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one

potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one (PubChem CID 176958705) has the molecular formula C26H52KN5O5 and a molecular weight of 553.83 g/mol. Its IUPAC name is potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Namepotassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one
PubChem CID176958705
Molecular FormulaC26H52KN5O5
Molecular Weight553.83 g/mol
Exact Mass553.36
IUPAC Namepotassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one
SMILESCC(CC1CCNC1=O)N[O-].CCCCC(C)C(=O)NC(C(=O)N1CCCC1)C(C)C.CCONC.[K+]
InChIInChI=1S/C16H30N2O2.C7H13N2O2.C3H9NO.K/c1-5-6-9-13(4)15(19)17-14(12(2)3)16(20)18-10-7-8-11-18;1-5(9-11)4-6-2-3-8-7(6)10;1-3-5-4-2;/h12-14H,5-11H2,1-4H3,(H,17,19);5-6,9H,2-4H2,1H3,(H,8,10);4H,3H2,1-2H3;/q;-1;;+1
InChIKeyGZILZOVKMZWFMF-UHFFFAOYSA-N
XLogP-0.27
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.83
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one with MolForge

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Related Compounds

N-[(Z)-3-acetyl-1-(2-oxopyrrolidin-3-yl)pent-3-en-2-yl]formamide;methylcyclopentane;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;propane
CID 176958767
methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 158532363
2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide
CID 110348621
ethyl 1-[3-methyl-2-(pentanoylamino)butanoyl]piperidine-3-carboxylate
CID 42697442
(E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide;N-[3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]formamide;N-propan-2-ylformamide
CID 176958853
methyl 2-[[(2S)-2-aminopent-4-ynoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 166744807
ethyl 4-methyl-2-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoylamino]pentanoate
CID 142133720
(3R)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one
CID 170365434
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 90368691
3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
CID 176958856
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]butanamide
CID 110349052
3-[[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]-6-methylheptanoic acid
CID 142065965

Frequently Asked Questions

What is the IUPAC name of potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one?
The IUPAC name of potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one (CID 176958705) is potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one?
The canonical SMILES for potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one is CC(CC1CCNC1=O)N[O-].CCCCC(C)C(=O)NC(C(=O)N1CCCC1)C(C)C.CCONC.[K+].
What is the InChIKey of potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one?
The InChIKey is GZILZOVKMZWFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.C7H13N2O2.C3H9NO.K/c1-5-6-9-13(4)15(19)17-14(12(2)3)16(20)18-10-7-8-11-18;1-5(9-11)4-6-2-3-8-7(6)10;1-3-5-4-2;/h12-14H,5-11H2,1-4H3,(H,17,19);5-6,9H,2-4H2,1H3,(H,8,10);4H,3H2,1-2H3;/q;-1;;+1.
What are the key properties of potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one?
potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one has a molecular weight of 553.83 g/mol, XLogP of -0.27, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;N-ethoxymethanamine;2-methyl-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)hexanamide;3-[2-(oxidoamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 176958705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).