tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+))

C46H100N12O4Zr2 — CID 139116653

IUPACtetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+))
SMILESCC(C)N(C(=O)[N-]CC(C)(C)C[N-]C(=O)N(C(C)C)C(C)C)C(C)C.CC(C)N(C(=O)[N-]CC(C)(C)C[N-]C(=O)N(C(C)C)C(C)C)C(C)C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Zr+4].[Zr+4]
InChIInChI=1S/2C19H40N4O2.4C2H6N.2Zr/c2*1-13(2)22(14(3)4)17(24)20-11-19(9,10)12-21-18(25)23(15(5)6)16(7)8;4*1-3-2;;/h2*13-16H,11-12H2,1-10H3,(H2,20,21,24,25);4*1-2H3;;/q;;4*-1;2*+4/p-4
InChIKeyOFAQSHMRPGQZTC-UHFFFAOYSA-J
MW1067.83 g/mol
LogP12.95
Rot. Bonds16

About tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+))

tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+)) (PubChem CID 139116653) has the molecular formula C46H100N12O4Zr2 and a molecular weight of 1067.83 g/mol. Its IUPAC name is tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+)).

Molecular Properties

Compound Nametetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+))
PubChem CID139116653
Molecular FormulaC46H100N12O4Zr2
Molecular Weight1067.83 g/mol
Exact Mass1064.61
IUPAC Nametetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+))
SMILESCC(C)N(C(=O)[N-]CC(C)(C)C[N-]C(=O)N(C(C)C)C(C)C)C(C)C.CC(C)N(C(=O)[N-]CC(C)(C)C[N-]C(=O)N(C(C)C)C(C)C)C(C)C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Zr+4].[Zr+4]
InChIInChI=1S/2C19H40N4O2.4C2H6N.2Zr/c2*1-13(2)22(14(3)4)17(24)20-11-19(9,10)12-21-18(25)23(15(5)6)16(7)8;4*1-3-2;;/h2*13-16H,11-12H2,1-10H3,(H2,20,21,24,25);4*1-2H3;;/q;;4*-1;2*+4/p-4
InChIKeyOFAQSHMRPGQZTC-UHFFFAOYSA-J
XLogP12.95
TPSA194.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.83
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide
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2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N,N-di(propan-2-yl)acetamide
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2-(dimethylamino)-N,N-di(propan-2-yl)acetamide
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N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
ethyl-[ethyl(propan-2-yl)carbamoyl]azanide;neodymium
CID 171845858
2-hydroxy-N,N-di(propan-2-yl)butanamide
CID 71365964
(Z)-4-[di(propan-2-yl)amino]-4-oxobut-2-enoic acid
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Frequently Asked Questions

What is the IUPAC name of tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+))?
The IUPAC name of tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+)) (CID 139116653) is tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+)).
What is the SMILES notation for tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+))?
The canonical SMILES for tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+)) is CC(C)N(C(=O)[N-]CC(C)(C)C[N-]C(=O)N(C(C)C)C(C)C)C(C)C.CC(C)N(C(=O)[N-]CC(C)(C)C[N-]C(=O)N(C(C)C)C(C)C)C(C)C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Zr+4].[Zr+4].
What is the InChIKey of tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+))?
The InChIKey is OFAQSHMRPGQZTC-UHFFFAOYSA-J. The full InChI is InChI=1S/2C19H40N4O2.4C2H6N.2Zr/c2*1-13(2)22(14(3)4)17(24)20-11-19(9,10)12-21-18(25)23(15(5)6)16(7)8;4*1-3-2;;/h2*13-16H,11-12H2,1-10H3,(H2,20,21,24,25);4*1-2H3;;/q;;4*-1;2*+4/p-4.
What are the key properties of tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+))?
tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+)) has a molecular weight of 1067.83 g/mol, XLogP of 12.95, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dimethylazanide);bis(di(propan-2-yl)carbamoyl-[3-[di(propan-2-yl)carbamoylazanidyl]-2,2-dimethylpropyl]azanide);bis(zirconium(4+)) is sourced from PubChem (CID 139116653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).