2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one

C29H37NOSi — CID 70578721

IUPAC2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one
SMILESC[Si](C)(CCCCC(=O)C(c1ccccc1)C(N)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H37NOSi/c1-32(2,23-25-16-8-4-9-17-25)21-13-12-20-28(31)29(26-18-10-5-11-19-26)27(30)22-24-14-6-3-7-15-24/h3-11,14-19,27,29H,12-13,20-23,30H2,1-2H3
InChIKeyDNDXSSCSJXBTCF-UHFFFAOYSA-N
MW443.71 g/mol
LogP6.57
Rot. Bonds12

About 2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one

2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one (PubChem CID 70578721) has the molecular formula C29H37NOSi and a molecular weight of 443.71 g/mol. Its IUPAC name is 2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one.

Molecular Properties

Compound Name2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one
PubChem CID70578721
Molecular FormulaC29H37NOSi
Molecular Weight443.71 g/mol
Exact Mass443.26
IUPAC Name2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one
SMILESC[Si](C)(CCCCC(=O)C(c1ccccc1)C(N)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H37NOSi/c1-32(2,23-25-16-8-4-9-17-25)21-13-12-20-28(31)29(26-18-10-5-11-19-26)27(30)22-24-14-6-3-7-15-24/h3-11,14-19,27,29H,12-13,20-23,30H2,1-2H3
InChIKeyDNDXSSCSJXBTCF-UHFFFAOYSA-N
XLogP6.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.71
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-[2-[4-[4-[benzyl(dimethyl)silyl]butyl]phenyl]ethyl]propanedioate
CID 139768120
ethyl (2R)-2-benzyl-3-oxononanoate
CID 102294335
2-[benzyl(dimethyl)silyl]ethyl carbamate
CID 140557047
2-amino-1-phenyldecan-3-one;hydrochloride
CID 3073894
(2S)-2-amino-3-phenylpropanoic acid;hexanedioic acid
CID 90108351
2-amino-1-phenylheptan-3-one;hydrochloride
CID 142731464
2-(1,2-diphenylethoxycarbonyl)-4-methylpentanoic acid
CID 70637765
1-amino-1-phenylheptan-2-one
CID 116551276
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-[benzyl(dimethyl)silyl]ethanamine;hydrochloride
CID 22399691
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
CID 59897360

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one?
The IUPAC name of 2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one (CID 70578721) is 2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one.
What is the SMILES notation for 2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one?
The canonical SMILES for 2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one is C[Si](C)(CCCCC(=O)C(c1ccccc1)C(N)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one?
The InChIKey is DNDXSSCSJXBTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NOSi/c1-32(2,23-25-16-8-4-9-17-25)21-13-12-20-28(31)29(26-18-10-5-11-19-26)27(30)22-24-14-6-3-7-15-24/h3-11,14-19,27,29H,12-13,20-23,30H2,1-2H3.
What are the key properties of 2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one?
2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one has a molecular weight of 443.71 g/mol, XLogP of 6.57, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[benzyl(dimethyl)silyl]-1,3-diphenyloctan-4-one is sourced from PubChem (CID 70578721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).