N,N'-hexa-2,4-diyne-1,6-diyldiacetamide

C10H12N2O2 — CID 14150050

IUPACN-(6-acetamidohexa-2,4-diynyl)acetamide
SMILESCC(=O)NCC#CC#CCNC(=O)C
InChIInChI=1S/C10H12N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h7-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyFRIJYOLUYSXHRS-UHFFFAOYSA-N
MW192.21 g/mol
LogP-0.70
Rot. Bonds3

About N,N'-hexa-2,4-diyne-1,6-diyldiacetamide

N,N'-hexa-2,4-diyne-1,6-diyldiacetamide (PubChem CID 14150050) has the molecular formula C10H12N2O2 and a molecular weight of 192.21 g/mol. Its IUPAC name is N-(6-acetamidohexa-2,4-diynyl)acetamide.

Molecular Properties

Compound NameN,N'-hexa-2,4-diyne-1,6-diyldiacetamide
PubChem CID14150050
Molecular FormulaC10H12N2O2
Molecular Weight192.21 g/mol
Exact Mass192.09
IUPAC NameN-(6-acetamidohexa-2,4-diynyl)acetamide
SMILESCC(=O)NCC#CC#CCNC(=O)C
InChIInChI=1S/C10H12N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h7-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyFRIJYOLUYSXHRS-UHFFFAOYSA-N
XLogP-0.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity309

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(prop-2-yn-1-yl)acetamide
CID 240796
N-[4-(propanoylamino)butyl]propanamide
CID 2167047
N1,N8-Diacetylspermidine
CID 389613
N-(3-acetamidopropyl)acetamide
CID 5147555
N-ethylprop-2-ynamide
CID 15741339
N-(4-acetamidobutyl)acetamide
CID 533686
N,N'-diethylbut-2-ynediamide
CID 315402
N-(4-(diethylamino)but-2-yn-1-yl)acetamide
CID 15065520
N-[3-(propanoylamino)propyl]propanamide
CID 5014082
N,N'-((Methylazanediyl)bis(propane-3,1-diyl))diacetamide
CID 20336852
N-[3-[3-acetamidopropyl(acetyl)amino]propyl]acetamide
CID 23599705
N-butylacetamide;N-propylacetamide
CID 164664390

Frequently Asked Questions

What is the IUPAC name of N,N'-hexa-2,4-diyne-1,6-diyldiacetamide?
The IUPAC name of N,N'-hexa-2,4-diyne-1,6-diyldiacetamide (CID 14150050) is N-(6-acetamidohexa-2,4-diynyl)acetamide.
What is the SMILES notation for N,N'-hexa-2,4-diyne-1,6-diyldiacetamide?
The canonical SMILES for N,N'-hexa-2,4-diyne-1,6-diyldiacetamide is CC(=O)NCC#CC#CCNC(=O)C.
What is the InChIKey of N,N'-hexa-2,4-diyne-1,6-diyldiacetamide?
The InChIKey is FRIJYOLUYSXHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h7-8H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N,N'-hexa-2,4-diyne-1,6-diyldiacetamide?
N,N'-hexa-2,4-diyne-1,6-diyldiacetamide has a molecular weight of 192.21 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-hexa-2,4-diyne-1,6-diyldiacetamide is sourced from PubChem (CID 14150050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).