2,2-dimethylheptane;bis(3-oxobutanamide)

C17H34N2O4 — CID 160637509

IUPAC2,2-dimethylheptane;bis(3-oxobutanamide)
SMILESCC(=O)CC(N)=O.CC(=O)CC(N)=O.CCCCCC(C)(C)C
InChIInChI=1S/C9H20.2C4H7NO2/c1-5-6-7-8-9(2,3)4;2*1-3(6)2-4(5)7/h5-8H2,1-4H3;2*2H2,1H3,(H2,5,7)
InChIKeyRISQXQYGJJAJIE-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.51
Rot. Bonds7

About 2,2-dimethylheptane;bis(3-oxobutanamide)

2,2-dimethylheptane;bis(3-oxobutanamide) (PubChem CID 160637509) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2,2-dimethylheptane;bis(3-oxobutanamide).

Molecular Properties

Compound Name2,2-dimethylheptane;bis(3-oxobutanamide)
PubChem CID160637509
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Name2,2-dimethylheptane;bis(3-oxobutanamide)
SMILESCC(=O)CC(N)=O.CC(=O)CC(N)=O.CCCCCC(C)(C)C
InChIInChI=1S/C9H20.2C4H7NO2/c1-5-6-7-8-9(2,3)4;2*1-3(6)2-4(5)7/h5-8H2,1-4H3;2*2H2,1H3,(H2,5,7)
InChIKeyRISQXQYGJJAJIE-UHFFFAOYSA-N
XLogP2.51
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

azane;3-oxobutanamide
CID 172802770
2,2-dimethylnonadecane;oxosilane
CID 158610214
1-(6,6-dimethylheptyl)-3-pentylurea
CID 143912834
2,2-dimethylundecane;hydrobromide
CID 172814192
azane;2,2-dimethylundecane
CID 172735807
2,2-dimethyldecanamide
CID 22596903
2,2-dimethylhexadecanamide
CID 23297438
6,6-dimethylheptyl nonyl carbonate;ethane
CID 177149018
2-methyl-2-(methylamino)heptanamide
CID 80557436
4-methyl-4-pentyldecanamide
CID 155082374
2,2-dimethylnonane;fluoromethane
CID 158057771
(2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide
CID 90320269

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylheptane;bis(3-oxobutanamide)?
The IUPAC name of 2,2-dimethylheptane;bis(3-oxobutanamide) (CID 160637509) is 2,2-dimethylheptane;bis(3-oxobutanamide).
What is the SMILES notation for 2,2-dimethylheptane;bis(3-oxobutanamide)?
The canonical SMILES for 2,2-dimethylheptane;bis(3-oxobutanamide) is CC(=O)CC(N)=O.CC(=O)CC(N)=O.CCCCCC(C)(C)C.
What is the InChIKey of 2,2-dimethylheptane;bis(3-oxobutanamide)?
The InChIKey is RISQXQYGJJAJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.2C4H7NO2/c1-5-6-7-8-9(2,3)4;2*1-3(6)2-4(5)7/h5-8H2,1-4H3;2*2H2,1H3,(H2,5,7).
What are the key properties of 2,2-dimethylheptane;bis(3-oxobutanamide)?
2,2-dimethylheptane;bis(3-oxobutanamide) has a molecular weight of 330.47 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylheptane;bis(3-oxobutanamide) is sourced from PubChem (CID 160637509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).