N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide

C23H29NOSi — CID 176893365

IUPACN-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)/C(=C\C=C\[Si](C)(C)C)c1ccccc1C
InChIInChI=1S/C23H29NOSi/c1-19-12-9-10-15-22(19)23(16-11-17-26(3,4)5)24(20(2)25)18-21-13-7-6-8-14-21/h6-17H,18H2,1-5H3/b17-11+,23-16-
InChIKeyDRFGCXXAAURHKV-NFPDPDOOSA-N
MW363.58 g/mol
LogP5.82
Rot. Bonds6

About N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide

N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide (PubChem CID 176893365) has the molecular formula C23H29NOSi and a molecular weight of 363.58 g/mol. Its IUPAC name is N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide
PubChem CID176893365
Molecular FormulaC23H29NOSi
Molecular Weight363.58 g/mol
Exact Mass363.20
IUPAC NameN-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)/C(=C\C=C\[Si](C)(C)C)c1ccccc1C
InChIInChI=1S/C23H29NOSi/c1-19-12-9-10-15-22(19)23(16-11-17-26(3,4)5)24(20(2)25)18-21-13-7-6-8-14-21/h6-17H,18H2,1-5H3/b17-11+,23-16-
InChIKeyDRFGCXXAAURHKV-NFPDPDOOSA-N
XLogP5.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.58
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide
CID 89172718
[(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate
CID 155677965
[2-[acetyl(benzyl)amino]-2-(4-chlorophenyl)ethenyl] thiocyanate
CID 175069301
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
N-benzyl-N-(2,3-dimethylphenyl)acetamide
CID 71247731
2-(N-benzyl-2,3-dimethylanilino)benzoic acid
CID 163729713
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
(E,4E)-4-[[benzyl(hydroxy)amino]methylidene]-1,5-bis(2-methylphenyl)pent-2-ene-1,5-dione
CID 10364309
[2-[acetyl(benzyl)amino]-2-[4-(trifluoromethyl)phenyl]ethenyl] thiocyanate
CID 175347019
N-benzyl-N-[(Z)-1-naphthalen-2-yl-2-phenylethenyl]acetamide
CID 102487066
(Z)-N-methyl-1-(2-methylphenyl)-N-(2-phenylethyl)prop-1-en-1-amine
CID 146409409
2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444742

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide?
The IUPAC name of N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide (CID 176893365) is N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide.
What is the SMILES notation for N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide?
The canonical SMILES for N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide is CC(=O)N(Cc1ccccc1)/C(=C\C=C\[Si](C)(C)C)c1ccccc1C.
What is the InChIKey of N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide?
The InChIKey is DRFGCXXAAURHKV-NFPDPDOOSA-N. The full InChI is InChI=1S/C23H29NOSi/c1-19-12-9-10-15-22(19)23(16-11-17-26(3,4)5)24(20(2)25)18-21-13-7-6-8-14-21/h6-17H,18H2,1-5H3/b17-11+,23-16-.
What are the key properties of N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide?
N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide has a molecular weight of 363.58 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide is sourced from PubChem (CID 176893365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).