N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide

C30H37NOSi2 — CID 134846535

IUPACN-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide
SMILESCC(=O)N[C@@H](C=C(C[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C30H37NOSi2/c1-25(32)31-27(22-21-26-15-9-6-10-16-26)23-30(34(4,5)29-19-13-8-14-20-29)24-33(2,3)28-17-11-7-12-18-28/h6-23,27H,24H2,1-5H3,(H,31,32)/b22-21+,30-23?/t27-/m1/s1
InChIKeyUFILLQLPCXWYIN-CUQOWNHVSA-N
MW483.80 g/mol
LogP5.90
Rot. Bonds9

About N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide

N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide (PubChem CID 134846535) has the molecular formula C30H37NOSi2 and a molecular weight of 483.80 g/mol. Its IUPAC name is N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide
PubChem CID134846535
Molecular FormulaC30H37NOSi2
Molecular Weight483.80 g/mol
Exact Mass483.24
IUPAC NameN-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide
SMILESCC(=O)N[C@@H](C=C(C[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C30H37NOSi2/c1-25(32)31-27(22-21-26-15-9-6-10-16-26)23-30(34(4,5)29-19-13-8-14-20-29)24-33(2,3)28-17-11-7-12-18-28/h6-23,27H,24H2,1-5H3,(H,31,32)/b22-21+,30-23?/t27-/m1/s1
InChIKeyUFILLQLPCXWYIN-CUQOWNHVSA-N
XLogP5.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.80
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide?
The IUPAC name of N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide (CID 134846535) is N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide.
What is the SMILES notation for N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide?
The canonical SMILES for N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide is CC(=O)N[C@@H](C=C(C[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1)/C=C/c1ccccc1.
What is the InChIKey of N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide?
The InChIKey is UFILLQLPCXWYIN-CUQOWNHVSA-N. The full InChI is InChI=1S/C30H37NOSi2/c1-25(32)31-27(22-21-26-15-9-6-10-16-26)23-30(34(4,5)29-19-13-8-14-20-29)24-33(2,3)28-17-11-7-12-18-28/h6-23,27H,24H2,1-5H3,(H,31,32)/b22-21+,30-23?/t27-/m1/s1.
What are the key properties of N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide?
N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide has a molecular weight of 483.80 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide is sourced from PubChem (CID 134846535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).