bis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine

C20H30B2N6O2 — CID 139157785

IUPACbis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine
SMILESCC(=O)N(C)C.CC(=O)N(C)C.c1ccc2c(c1)NB1Nc3ccccc3NB1N2
InChIInChI=1S/C12H12B2N4.2C4H9NO/c1-2-6-10-9(5-1)15-13-14(16-10)18-12-8-4-3-7-11(12)17-13;2*1-4(6)5(2)3/h1-8,15-18H;2*1-3H3
InChIKeyNXZZKVGBTTWBQJ-UHFFFAOYSA-N
MW408.12 g/mol
LogP2.31
Rot. Bonds

About bis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine

bis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine (PubChem CID 139157785) has the molecular formula C20H30B2N6O2 and a molecular weight of 408.12 g/mol. Its IUPAC name is bis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine.

Molecular Properties

Compound Namebis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine
PubChem CID139157785
Molecular FormulaC20H30B2N6O2
Molecular Weight408.12 g/mol
Exact Mass408.26
IUPAC Namebis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine
SMILESCC(=O)N(C)C.CC(=O)N(C)C.c1ccc2c(c1)NB1Nc3ccccc3NB1N2
InChIInChI=1S/C12H12B2N4.2C4H9NO/c1-2-6-10-9(5-1)15-13-14(16-10)18-12-8-4-3-7-11(12)17-13;2*1-4(6)5(2)3/h1-8,15-18H;2*1-3H3
InChIKeyNXZZKVGBTTWBQJ-UHFFFAOYSA-N
XLogP2.31
TPSA88.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.12
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylacetamide;triphenylphosphane
CID 88649560
azane;N,N-dimethylacetamide
CID 161145572
N,N-dimethylacetamide;molecular iodine
CID 158534416
N,N-dimethyl-9,10-dihydroacridine-9-carboxamide
CID 125496083
N,N-dimethylacetamide;formaldehyde
CID 54040691
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803
(3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one
CID 22154428
N,N-dimethylacetamide;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;zinc
CID 139070307
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
CID 173055527
(1Z)-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanamine
CID 144734414
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
N-[ethyl(methyl)carbamoyl]-N-phenylacetamide
CID 155277050

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine?
The IUPAC name of bis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine (CID 139157785) is bis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine.
What is the SMILES notation for bis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine?
The canonical SMILES for bis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine is CC(=O)N(C)C.CC(=O)N(C)C.c1ccc2c(c1)NB1Nc3ccccc3NB1N2.
What is the InChIKey of bis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine?
The InChIKey is NXZZKVGBTTWBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12B2N4.2C4H9NO/c1-2-6-10-9(5-1)15-13-14(16-10)18-12-8-4-3-7-11(12)17-13;2*1-4(6)5(2)3/h1-8,15-18H;2*1-3H3.
What are the key properties of bis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine?
bis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine has a molecular weight of 408.12 g/mol, XLogP of 2.31, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylacetamide);5,7,12,14-tetrahydro-[1,4,2,3]benzodiazadiborinino[2,3-b][1,4,2,3]benzodiazadiborinine is sourced from PubChem (CID 139157785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).