N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide

C23H49NO4Si2 — CID 123614920

IUPACN-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)COCCCC(C)(C)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCC
InChIInChI=1S/C23H49NO4Si2/c1-11-13-17-29(7,8)23(5,6)28-30(9,10)22(3,4)15-14-16-27-19-20(25)18-24-21(26)12-2/h12,20,25H,2,11,13-19H2,1,3-10H3,(H,24,26)
InChIKeyNHGGYWYDOBOBIO-UHFFFAOYSA-N
MW459.82 g/mol
LogP5.27
Rot. Bonds16

About N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide

N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide (PubChem CID 123614920) has the molecular formula C23H49NO4Si2 and a molecular weight of 459.82 g/mol. Its IUPAC name is N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide
PubChem CID123614920
Molecular FormulaC23H49NO4Si2
Molecular Weight459.82 g/mol
Exact Mass459.32
IUPAC NameN-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)COCCCC(C)(C)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCC
InChIInChI=1S/C23H49NO4Si2/c1-11-13-17-29(7,8)23(5,6)28-30(9,10)22(3,4)15-14-16-27-19-20(25)18-24-21(26)12-2/h12,20,25H,2,11,13-19H2,1,3-10H3,(H,24,26)
InChIKeyNHGGYWYDOBOBIO-UHFFFAOYSA-N
XLogP5.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.82
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide?
The IUPAC name of N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide (CID 123614920) is N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide.
What is the SMILES notation for N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide?
The canonical SMILES for N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide is C=CC(=O)NCC(O)COCCCC(C)(C)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCC.
What is the InChIKey of N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide?
The InChIKey is NHGGYWYDOBOBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO4Si2/c1-11-13-17-29(7,8)23(5,6)28-30(9,10)22(3,4)15-14-16-27-19-20(25)18-24-21(26)12-2/h12,20,25H,2,11,13-19H2,1,3-10H3,(H,24,26).
What are the key properties of N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide?
N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide has a molecular weight of 459.82 g/mol, XLogP of 5.27, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-[butyl(dimethyl)silyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]-2-hydroxypropyl]prop-2-enamide is sourced from PubChem (CID 123614920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).