N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane

C24H51N5O8 — CID 161076807

IUPACN-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane
SMILESC.C.CC(=O)NCCCCC(CO)NC(C)=O.CC(=O)ON1C(=O)CCC1=O.NCCCCC(N)CO
InChIInChI=1S/C10H20N2O3.C6H16N2O.C6H7NO4.2CH4/c1-8(14)11-6-4-3-5-10(7-13)12-9(2)15;7-4-2-1-3-6(8)5-9;1-4(8)11-7-5(9)2-3-6(7)10;;/h10,13H,3-7H2,1-2H3,(H,11,14)(H,12,15);6,9H,1-5,7-8H2;2-3H2,1H3;2*1H4
InChIKeyUFJQVMLZCPORIB-UHFFFAOYSA-N
MW537.70 g/mol
LogP0.11
Rot. Bonds13

About N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane

N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane (PubChem CID 161076807) has the molecular formula C24H51N5O8 and a molecular weight of 537.70 g/mol. Its IUPAC name is N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane.

Molecular Properties

Compound NameN-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane
PubChem CID161076807
Molecular FormulaC24H51N5O8
Molecular Weight537.70 g/mol
Exact Mass537.37
IUPAC NameN-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane
SMILESC.C.CC(=O)NCCCCC(CO)NC(C)=O.CC(=O)ON1C(=O)CCC1=O.NCCCCC(N)CO
InChIInChI=1S/C10H20N2O3.C6H16N2O.C6H7NO4.2CH4/c1-8(14)11-6-4-3-5-10(7-13)12-9(2)15;7-4-2-1-3-6(8)5-9;1-4(8)11-7-5(9)2-3-6(7)10;;/h10,13H,3-7H2,1-2H3,(H,11,14)(H,12,15);6,9H,1-5,7-8H2;2-3H2,1H3;2*1H4
InChIKeyUFJQVMLZCPORIB-UHFFFAOYSA-N
XLogP0.11
TPSA214.38 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 50.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine
CID 161410533
2,6-diacetamidohexanoic acid;2,6-diaminohexanoic acid;(2,5-dioxopyrrolidin-1-yl) acetate;methane;hydrate
CID 159583984
6-acetamido-2-((113C)methyl(15N)amino)hexanamide;carbane;(2,5-dioxopyrrolidin-1-yl) (313C)propanoate
CID 160722960
5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate
CID 159005446
(2,5-dioxopyrrolidin-1-yl) 3-[[6-(acetylamino)-2-(dimethylamino)(613C)hexanoyl](15N)amino]propanoate
CID 135251379
(2,5-dioxopyrrolidin-1-yl) 6-[[4-acetamido-5-(2-hydroxyethylamino)-5-oxopentanoyl]amino]hexanoate
CID 89119031
N-(18-amino-7-hydroxyoctadecyl)acetamide
CID 175547048
(2,5-dioxopyrrolidin-1-yl) 3-[[6-acetamido-2-((113C)methyl(15N)amino)(613C)hexanoyl]amino]propanoate
CID 135251395
(2,5-dioxopyrrolidin-1-yl) 3-[[6-acetamido-2-(methylamino)hexanoyl]amino]propanoate
CID 135254373
bis(2,6-bis(butanoylamino)hexanoic acid);2,6-bis(4-oxopentanoylamino)hexanoic acid;tris(2,6-diaminohexanoic acid);bis((2,5-dioxopyrrolidin-1-yl) butanoate);(2,5-dioxopyrrolidin-1-yl) 4-oxopentanoate;methane
CID 161078548
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]hexanamide
CID 72708054
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane?
The IUPAC name of N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane (CID 161076807) is N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane.
What is the SMILES notation for N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane?
The canonical SMILES for N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane is C.C.CC(=O)NCCCCC(CO)NC(C)=O.CC(=O)ON1C(=O)CCC1=O.NCCCCC(N)CO.
What is the InChIKey of N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane?
The InChIKey is UFJQVMLZCPORIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.C6H16N2O.C6H7NO4.2CH4/c1-8(14)11-6-4-3-5-10(7-13)12-9(2)15;7-4-2-1-3-6(8)5-9;1-4(8)11-7-5(9)2-3-6(7)10;;/h10,13H,3-7H2,1-2H3,(H,11,14)(H,12,15);6,9H,1-5,7-8H2;2-3H2,1H3;2*1H4.
What are the key properties of N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane?
N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane has a molecular weight of 537.70 g/mol, XLogP of 0.11, 13 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane is sourced from PubChem (CID 161076807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).