N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide

C23H31NO3Si — CID 139728485

IUPACN-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide
SMILESC=C(C)c1ccc(C(=O)NCCC[Si](OCC)(OCC)c2ccccc2)cc1
InChIInChI=1S/C23H31NO3Si/c1-5-26-28(27-6-2,22-11-8-7-9-12-22)18-10-17-24-23(25)21-15-13-20(14-16-21)19(3)4/h7-9,11-16H,3,5-6,10,17-18H2,1-2,4H3,(H,24,25)
InChIKeyQMQPDTMTBMBBJS-UHFFFAOYSA-N
MW397.59 g/mol
LogP4.26
Rot. Bonds11

About N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide

N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide (PubChem CID 139728485) has the molecular formula C23H31NO3Si and a molecular weight of 397.59 g/mol. Its IUPAC name is N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide
PubChem CID139728485
Molecular FormulaC23H31NO3Si
Molecular Weight397.59 g/mol
Exact Mass397.21
IUPAC NameN-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide
SMILESC=C(C)c1ccc(C(=O)NCCC[Si](OCC)(OCC)c2ccccc2)cc1
InChIInChI=1S/C23H31NO3Si/c1-5-26-28(27-6-2,22-11-8-7-9-12-22)18-10-17-24-23(25)21-15-13-20(14-16-21)19(3)4/h7-9,11-16H,3,5-6,10,17-18H2,1-2,4H3,(H,24,25)
InChIKeyQMQPDTMTBMBBJS-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide?
The IUPAC name of N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide (CID 139728485) is N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide.
What is the SMILES notation for N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide?
The canonical SMILES for N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide is C=C(C)c1ccc(C(=O)NCCC[Si](OCC)(OCC)c2ccccc2)cc1.
What is the InChIKey of N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide?
The InChIKey is QMQPDTMTBMBBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3Si/c1-5-26-28(27-6-2,22-11-8-7-9-12-22)18-10-17-24-23(25)21-15-13-20(14-16-21)19(3)4/h7-9,11-16H,3,5-6,10,17-18H2,1-2,4H3,(H,24,25).
What are the key properties of N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide?
N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide has a molecular weight of 397.59 g/mol, XLogP of 4.26, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[diethoxy(phenyl)silyl]propyl]-4-prop-1-en-2-ylbenzamide is sourced from PubChem (CID 139728485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).