2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide

C25H58N2O3Si4 — CID 166012315

IUPAC2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide
SMILESC=C(N)C(=O)N(CCC[Si](C)(C)O[Si](C)(C)CCCC)CCC[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C25H58N2O3Si4/c1-12-14-20-31(4,5)29-33(8,9)22-16-18-27(25(28)24(3)26)19-17-23-34(10,11)30-32(6,7)21-15-13-2/h3,12-23,26H2,1-2,4-11H3
InChIKeyDYHSQDCLLPOLJT-UHFFFAOYSA-N
MW547.09 g/mol
LogP7.52
Rot. Bonds19

About 2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide

2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide (PubChem CID 166012315) has the molecular formula C25H58N2O3Si4 and a molecular weight of 547.09 g/mol. Its IUPAC name is 2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide.

Molecular Properties

Compound Name2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide
PubChem CID166012315
Molecular FormulaC25H58N2O3Si4
Molecular Weight547.09 g/mol
Exact Mass546.35
IUPAC Name2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide
SMILESC=C(N)C(=O)N(CCC[Si](C)(C)O[Si](C)(C)CCCC)CCC[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C25H58N2O3Si4/c1-12-14-20-31(4,5)29-33(8,9)22-16-18-27(25(28)24(3)26)19-17-23-34(10,11)30-32(6,7)21-15-13-2/h3,12-23,26H2,1-2,4-11H3
InChIKeyDYHSQDCLLPOLJT-UHFFFAOYSA-N
XLogP7.52
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.09
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide?
The IUPAC name of 2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide (CID 166012315) is 2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide.
What is the SMILES notation for 2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide?
The canonical SMILES for 2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide is C=C(N)C(=O)N(CCC[Si](C)(C)O[Si](C)(C)CCCC)CCC[Si](C)(C)O[Si](C)(C)CCCC.
What is the InChIKey of 2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide?
The InChIKey is DYHSQDCLLPOLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H58N2O3Si4/c1-12-14-20-31(4,5)29-33(8,9)22-16-18-27(25(28)24(3)26)19-17-23-34(10,11)30-32(6,7)21-15-13-2/h3,12-23,26H2,1-2,4-11H3.
What are the key properties of 2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide?
2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide has a molecular weight of 547.09 g/mol, XLogP of 7.52, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]prop-2-enamide is sourced from PubChem (CID 166012315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).