sodium;N,N-dimethylpropanamide;triacetyloxyboranuide

C11H21BNNaO7 — CID 175843123

IUPACsodium;N,N-dimethylpropanamide;triacetyloxyboranuide
SMILESCC(=O)O[BH-](OC(C)=O)OC(C)=O.CCC(=O)N(C)C.[Na+]
InChIInChI=1S/C6H10BO6.C5H11NO.Na/c1-4(8)11-7(12-5(2)9)13-6(3)10;1-4-5(7)6(2)3;/h7H,1-3H3;4H2,1-3H3;/q-1;;+1
InChIKeyRWPNAODVDFWBAM-UHFFFAOYSA-N
MW313.09 g/mol
LogP-3.12
Rot. Bonds4

About sodium;N,N-dimethylpropanamide;triacetyloxyboranuide

sodium;N,N-dimethylpropanamide;triacetyloxyboranuide (PubChem CID 175843123) has the molecular formula C11H21BNNaO7 and a molecular weight of 313.09 g/mol. Its IUPAC name is sodium;N,N-dimethylpropanamide;triacetyloxyboranuide.

Molecular Properties

Compound Namesodium;N,N-dimethylpropanamide;triacetyloxyboranuide
PubChem CID175843123
Molecular FormulaC11H21BNNaO7
Molecular Weight313.09 g/mol
Exact Mass313.13
IUPAC Namesodium;N,N-dimethylpropanamide;triacetyloxyboranuide
SMILESCC(=O)O[BH-](OC(C)=O)OC(C)=O.CCC(=O)N(C)C.[Na+]
InChIInChI=1S/C6H10BO6.C5H11NO.Na/c1-4(8)11-7(12-5(2)9)13-6(3)10;1-4-5(7)6(2)3;/h7H,1-3H3;4H2,1-3H3;/q-1;;+1
InChIKeyRWPNAODVDFWBAM-UHFFFAOYSA-N
XLogP-3.12
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.09
LogP ≤ 5-3.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

disodium bis(triacetyloxyboranuide)
CID 158744118
magnesium bis(triacetyloxyboranuide)
CID 161352843
sodium;tetrabutylazanium;bis(triacetyloxyboranuide)
CID 159526645
N,N-dimethylacetamide;N,N-dimethylpropanamide;N-methylacetamide
CID 165098180
N,N-bis(trideuteriomethyl)propanamide
CID 155026740
N-methoxy-N-methylpropanamide
CID 11344007
N,N-diethylacetamide;N,N-dimethylbutanamide;N,N-dimethylpropanamide
CID 157213260
ethoxycarbonyl acetate
CID 169432619
N-acetyl-N-methylpropanamide;ethane
CID 143328121
sodium;ethyl acetate;iodide
CID 175319293
N-bromo-N-methylpropanamide
CID 123781354
ethyl acetate;oxoplatinum
CID 158371854

Frequently Asked Questions

What is the IUPAC name of sodium;N,N-dimethylpropanamide;triacetyloxyboranuide?
The IUPAC name of sodium;N,N-dimethylpropanamide;triacetyloxyboranuide (CID 175843123) is sodium;N,N-dimethylpropanamide;triacetyloxyboranuide.
What is the SMILES notation for sodium;N,N-dimethylpropanamide;triacetyloxyboranuide?
The canonical SMILES for sodium;N,N-dimethylpropanamide;triacetyloxyboranuide is CC(=O)O[BH-](OC(C)=O)OC(C)=O.CCC(=O)N(C)C.[Na+].
What is the InChIKey of sodium;N,N-dimethylpropanamide;triacetyloxyboranuide?
The InChIKey is RWPNAODVDFWBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BO6.C5H11NO.Na/c1-4(8)11-7(12-5(2)9)13-6(3)10;1-4-5(7)6(2)3;/h7H,1-3H3;4H2,1-3H3;/q-1;;+1.
What are the key properties of sodium;N,N-dimethylpropanamide;triacetyloxyboranuide?
sodium;N,N-dimethylpropanamide;triacetyloxyboranuide has a molecular weight of 313.09 g/mol, XLogP of -3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N,N-dimethylpropanamide;triacetyloxyboranuide is sourced from PubChem (CID 175843123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).