(2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide

C46H46N2O2Si — CID 58680539

IUPAC(2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide
SMILESO=C(NCc1ccccc1)[C@@H](CC[Si](c1ccccc1)(c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C46H46N2O2Si/c49-45(47-35-39-23-11-3-12-24-39)41(33-37-19-7-1-8-20-37)31-32-51(42-27-15-5-16-28-42,43-29-17-6-18-30-43)44(34-38-21-9-2-10-22-38)46(50)48-36-40-25-13-4-14-26-40/h1-30,41,44H,31-36H2,(H,47,49)(H,48,50)/t41-,44-/m0/s1
InChIKeyVEBUQXGNGFXIHR-XKKDUZJHSA-N
MW686.97 g/mol
LogP7.74
Rot. Bonds16

About (2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide

(2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide (PubChem CID 58680539) has the molecular formula C46H46N2O2Si and a molecular weight of 686.97 g/mol. Its IUPAC name is (2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide.

Molecular Properties

Compound Name(2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide
PubChem CID58680539
Molecular FormulaC46H46N2O2Si
Molecular Weight686.97 g/mol
Exact Mass686.33
IUPAC Name(2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide
SMILESO=C(NCc1ccccc1)[C@@H](CC[Si](c1ccccc1)(c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C46H46N2O2Si/c49-45(47-35-39-23-11-3-12-24-39)41(33-37-19-7-1-8-20-37)31-32-51(42-27-15-5-16-28-42,43-29-17-6-18-30-43)44(34-38-21-9-2-10-22-38)46(50)48-36-40-25-13-4-14-26-40/h1-30,41,44H,31-36H2,(H,47,49)(H,48,50)/t41-,44-/m0/s1
InChIKeyVEBUQXGNGFXIHR-XKKDUZJHSA-N
XLogP7.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.97
LogP ≤ 57.74
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

N-(3,3-diphenylpropyl)-2,2-diphenylacetamide
CID 4225440
(2S)-N,2-dibenzyl-3-[[(2S)-2-benzyl-3-(benzylamino)-3-oxo-propyl]-dihydroxy-silyl]propanamide
CID 5482933
N-benzyladamantane-1-carboxamide
CID 3826889
4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide
CID 11668754
N-benzyl-2,2-diphenylacetamide
CID 349569
Carboxamide, 12a
CID 44236889
N-(1,2-Diphenyl-ethyl)-2,2-diphenyl-acetamide
CID 44288088
10,19-Dibenzyl-3,10,19,26-tetrazabicyclo[26.2.2]dotriaconta-1(30),28,31-triene-9,20-dione
CID 162644069
15,24-Dibenzyl-8,15,24,31-tetrazatricyclo[31.2.2.23,6]nonatriaconta-1(35),3(39),4,6(38),33,36-hexaene-14,25-dione
CID 162657522
14,23-Dibenzyl-7,14,23,30-tetrazatricyclo[30.2.2.22,5]octatriaconta-1(35),2(38),3,5(37),32(36),33-hexaene-13,24-dione
CID 162667871
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
Carboxamide, 12b
CID 44236890

Frequently Asked Questions

What is the IUPAC name of (2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide?
The IUPAC name of (2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide (CID 58680539) is (2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide.
What is the SMILES notation for (2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide?
The canonical SMILES for (2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide is O=C(NCc1ccccc1)[C@@H](CC[Si](c1ccccc1)(c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide?
The InChIKey is VEBUQXGNGFXIHR-XKKDUZJHSA-N. The full InChI is InChI=1S/C46H46N2O2Si/c49-45(47-35-39-23-11-3-12-24-39)41(33-37-19-7-1-8-20-37)31-32-51(42-27-15-5-16-28-42,43-29-17-6-18-30-43)44(34-38-21-9-2-10-22-38)46(50)48-36-40-25-13-4-14-26-40/h1-30,41,44H,31-36H2,(H,47,49)(H,48,50)/t41-,44-/m0/s1.
What are the key properties of (2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide?
(2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide has a molecular weight of 686.97 g/mol, XLogP of 7.74, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide is sourced from PubChem (CID 58680539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).