N-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide

C18H38N2O4Si3 — CID 147496278

IUPACN-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCNC(=O)C=C
InChIInChI=1S/C18H38N2O4Si3/c1-9-17(21)19-13-11-15-25(3,4)23-27(7,8)24-26(5,6)16-12-14-20-18(22)10-2/h9-10H,1-2,11-16H2,3-8H3,(H,19,21)(H,20,22)
InChIKeyFGNDQRBNPMFQCX-UHFFFAOYSA-N
MW430.77 g/mol
LogP3.52
Rot. Bonds14

About N-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide

N-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide (PubChem CID 147496278) has the molecular formula C18H38N2O4Si3 and a molecular weight of 430.77 g/mol. Its IUPAC name is N-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide
PubChem CID147496278
Molecular FormulaC18H38N2O4Si3
Molecular Weight430.77 g/mol
Exact Mass430.21
IUPAC NameN-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCNC(=O)C=C
InChIInChI=1S/C18H38N2O4Si3/c1-9-17(21)19-13-11-15-25(3,4)23-27(7,8)24-26(5,6)16-12-14-20-18(22)10-2/h9-10H,1-2,11-16H2,3-8H3,(H,19,21)(H,20,22)
InChIKeyFGNDQRBNPMFQCX-UHFFFAOYSA-N
XLogP3.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.77
LogP ≤ 53.52
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-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide?
The IUPAC name of N-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide (CID 147496278) is N-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide is C=CC(=O)NCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCNC(=O)C=C.
What is the InChIKey of N-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide?
The InChIKey is FGNDQRBNPMFQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O4Si3/c1-9-17(21)19-13-11-15-25(3,4)23-27(7,8)24-26(5,6)16-12-14-20-18(22)10-2/h9-10H,1-2,11-16H2,3-8H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide?
N-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide has a molecular weight of 430.77 g/mol, XLogP of 3.52, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[dimethyl-[3-(prop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]prop-2-enamide is sourced from PubChem (CID 147496278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).