N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide

C28H34N2O2Si — CID 10837595

IUPACN,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide
SMILESC[Si](C)(c1ccccc1)C(CCC(=O)NCc1ccccc1)CC(=O)NCc1ccccc1
InChIInChI=1S/C28H34N2O2Si/c1-33(2,25-16-10-5-11-17-25)26(20-28(32)30-22-24-14-8-4-9-15-24)18-19-27(31)29-21-23-12-6-3-7-13-23/h3-17,26H,18-22H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyUMMRMARDBKZJPI-UHFFFAOYSA-N
MW458.68 g/mol
LogP4.78
Rot. Bonds11

About N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide

N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide (PubChem CID 10837595) has the molecular formula C28H34N2O2Si and a molecular weight of 458.68 g/mol. Its IUPAC name is N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide.

Molecular Properties

Compound NameN,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide
PubChem CID10837595
Molecular FormulaC28H34N2O2Si
Molecular Weight458.68 g/mol
Exact Mass458.24
IUPAC NameN,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide
SMILESC[Si](C)(c1ccccc1)C(CCC(=O)NCc1ccccc1)CC(=O)NCc1ccccc1
InChIInChI=1S/C28H34N2O2Si/c1-33(2,25-16-10-5-11-17-25)26(20-28(32)30-22-24-14-8-4-9-15-24)18-19-27(31)29-21-23-12-6-3-7-13-23/h3-17,26H,18-22H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyUMMRMARDBKZJPI-UHFFFAOYSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.68
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-phenyl-N-(1-phenylethyl)acetamide
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N-benzyloctadecanamide
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(2S)-N,2-dibenzyl-3-[[(2S)-2-benzyl-3-(benzylamino)-3-oxo-propyl]-dihydroxy-silyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide?
The IUPAC name of N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide (CID 10837595) is N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide.
What is the SMILES notation for N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide?
The canonical SMILES for N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide is C[Si](C)(c1ccccc1)C(CCC(=O)NCc1ccccc1)CC(=O)NCc1ccccc1.
What is the InChIKey of N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide?
The InChIKey is UMMRMARDBKZJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2Si/c1-33(2,25-16-10-5-11-17-25)26(20-28(32)30-22-24-14-8-4-9-15-24)18-19-27(31)29-21-23-12-6-3-7-13-23/h3-17,26H,18-22H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide?
N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide has a molecular weight of 458.68 g/mol, XLogP of 4.78, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide is sourced from PubChem (CID 10837595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).