dodecane;bis(2-methylprop-2-enamide)

C20H40N2O2 — CID 87149534

IUPACdodecane;bis(2-methylprop-2-enamide)
SMILESC=C(C)C(N)=O.C=C(C)C(N)=O.CCCCCCCCCCCC
InChIInChI=1S/C12H26.2C4H7NO/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-3(2)4(5)6/h3-12H2,1-2H3;2*1H2,2H3,(H2,5,6)
InChIKeyXYXYFYRSFWLFKR-UHFFFAOYSA-N
MW340.55 g/mol
LogP5.02
Rot. Bonds11

About dodecane;bis(2-methylprop-2-enamide)

dodecane;bis(2-methylprop-2-enamide) (PubChem CID 87149534) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is dodecane;bis(2-methylprop-2-enamide).

Molecular Properties

Compound Namedodecane;bis(2-methylprop-2-enamide)
PubChem CID87149534
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC Namedodecane;bis(2-methylprop-2-enamide)
SMILESC=C(C)C(N)=O.C=C(C)C(N)=O.CCCCCCCCCCCC
InChIInChI=1S/C12H26.2C4H7NO/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-3(2)4(5)6/h3-12H2,1-2H3;2*1H2,2H3,(H2,5,6)
InChIKeyXYXYFYRSFWLFKR-UHFFFAOYSA-N
XLogP5.02
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enoic acid;octacosane
CID 158715869
2-aminoundecanoic acid;2-methylprop-2-enamide
CID 157268001
sodium;dodecane;ethanesulfonic acid;2-methylprop-2-enamide
CID 87258662
hexane-1,6-diol;bis(2-methylprop-2-enamide)
CID 122530831
2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
heptane;2-methylpent-1-en-3-one
CID 142189704
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
2-methylprop-2-enamide;hydrate
CID 88749193
2-methylhentriacont-1-en-3-one
CID 153436335
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);octadecane
CID 173068798
2-methyltridec-1-en-3-one
CID 91110358

Frequently Asked Questions

What is the IUPAC name of dodecane;bis(2-methylprop-2-enamide)?
The IUPAC name of dodecane;bis(2-methylprop-2-enamide) (CID 87149534) is dodecane;bis(2-methylprop-2-enamide).
What is the SMILES notation for dodecane;bis(2-methylprop-2-enamide)?
The canonical SMILES for dodecane;bis(2-methylprop-2-enamide) is C=C(C)C(N)=O.C=C(C)C(N)=O.CCCCCCCCCCCC.
What is the InChIKey of dodecane;bis(2-methylprop-2-enamide)?
The InChIKey is XYXYFYRSFWLFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.2C4H7NO/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-3(2)4(5)6/h3-12H2,1-2H3;2*1H2,2H3,(H2,5,6).
What are the key properties of dodecane;bis(2-methylprop-2-enamide)?
dodecane;bis(2-methylprop-2-enamide) has a molecular weight of 340.55 g/mol, XLogP of 5.02, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane;bis(2-methylprop-2-enamide) is sourced from PubChem (CID 87149534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).