N-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide

C31H39NO3Si — CID 69020749

IUPACN-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide
SMILESC=C(C)c1ccc(C(=O)NCCCCCCO[Si](OCCC)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H39NO3Si/c1-4-24-34-36(29-15-9-7-10-16-29,30-17-11-8-12-18-30)35-25-14-6-5-13-23-32-31(33)28-21-19-27(20-22-28)26(2)3/h7-12,15-22H,2,4-6,13-14,23-25H2,1,3H3,(H,32,33)
InChIKeyFUAJKRBKTSFUPW-UHFFFAOYSA-N
MW501.74 g/mol
LogP5.71
Rot. Bonds15

About N-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide

N-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide (PubChem CID 69020749) has the molecular formula C31H39NO3Si and a molecular weight of 501.74 g/mol. Its IUPAC name is N-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide.

Molecular Properties

Compound NameN-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide
PubChem CID69020749
Molecular FormulaC31H39NO3Si
Molecular Weight501.74 g/mol
Exact Mass501.27
IUPAC NameN-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide
SMILESC=C(C)c1ccc(C(=O)NCCCCCCO[Si](OCCC)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H39NO3Si/c1-4-24-34-36(29-15-9-7-10-16-29,30-17-11-8-12-18-30)35-25-14-6-5-13-23-32-31(33)28-21-19-27(20-22-28)26(2)3/h7-12,15-22H,2,4-6,13-14,23-25H2,1,3H3,(H,32,33)
InChIKeyFUAJKRBKTSFUPW-UHFFFAOYSA-N
XLogP5.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.74
LogP ≤ 55.71
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-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide?
The IUPAC name of N-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide (CID 69020749) is N-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide.
What is the SMILES notation for N-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide?
The canonical SMILES for N-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide is C=C(C)c1ccc(C(=O)NCCCCCCO[Si](OCCC)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide?
The InChIKey is FUAJKRBKTSFUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39NO3Si/c1-4-24-34-36(29-15-9-7-10-16-29,30-17-11-8-12-18-30)35-25-14-6-5-13-23-32-31(33)28-21-19-27(20-22-28)26(2)3/h7-12,15-22H,2,4-6,13-14,23-25H2,1,3H3,(H,32,33).
What are the key properties of N-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide?
N-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide has a molecular weight of 501.74 g/mol, XLogP of 5.71, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide is sourced from PubChem (CID 69020749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).