(2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide

C24H36N2O2Si2 — CID 10503283

IUPAC(2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide
SMILESC[Si](C)(C)[C@H](C(=O)NCc1ccccc1)[C@H](C(=O)NCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C24H36N2O2Si2/c1-29(2,3)21(23(27)25-17-19-13-9-7-10-14-19)22(30(4,5)6)24(28)26-18-20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3,(H,25,27)(H,26,28)/t21-,22+
InChIKeySUCQABJYAFPLOS-SZPZYZBQSA-N
MW440.74 g/mol
LogP5.04
Rot. Bonds9

About (2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide

(2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide (PubChem CID 10503283) has the molecular formula C24H36N2O2Si2 and a molecular weight of 440.74 g/mol. Its IUPAC name is (2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide.

Molecular Properties

Compound Name(2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide
PubChem CID10503283
Molecular FormulaC24H36N2O2Si2
Molecular Weight440.74 g/mol
Exact Mass440.23
IUPAC Name(2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide
SMILESC[Si](C)(C)[C@H](C(=O)NCc1ccccc1)[C@H](C(=O)NCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C24H36N2O2Si2/c1-29(2,3)21(23(27)25-17-19-13-9-7-10-14-19)22(30(4,5)6)24(28)26-18-20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3,(H,25,27)(H,26,28)/t21-,22+
InChIKeySUCQABJYAFPLOS-SZPZYZBQSA-N
XLogP5.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.74
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide with MolForge

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Related Compounds

SA-58035
CID 122215
n,n'-Dibenzylmalonamide
CID 735256
(5Z,8Z,11Z,14Z)-N-benzylicosa-5,8,11,14-tetraenamide
CID 101733925
(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide
CID 162516979
N,N'-bis(3-phenylpropyl)butanediamide
CID 2931469
N,1-dibenzylpiperidine-4-carboxamide
CID 25249190
N,N'-dibenzylbutanediamide
CID 3130297
N, N-Bis(phenylmethyl)hexanediamide
CID 4079537
N-benzyl-3-(benzylamino)propanamide
CID 12374770
N-benzyl-2-[(3R,4R)-4-methyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
CID 24793592
N-benzyl-1-(4-methylbenzyl)piperidine-4-carboxamide
CID 25249987
N-[[4-(aminomethyl)phenyl]methyl]-N'-[[4-[[[4-[[4-(aminomethyl)phenyl]methylamino]-4-oxobutanoyl]amino]methyl]phenyl]methyl]butanediamide
CID 44315607

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide?
The IUPAC name of (2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide (CID 10503283) is (2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide.
What is the SMILES notation for (2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide?
The canonical SMILES for (2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide is C[Si](C)(C)[C@H](C(=O)NCc1ccccc1)[C@H](C(=O)NCc1ccccc1)[Si](C)(C)C.
What is the InChIKey of (2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide?
The InChIKey is SUCQABJYAFPLOS-SZPZYZBQSA-N. The full InChI is InChI=1S/C24H36N2O2Si2/c1-29(2,3)21(23(27)25-17-19-13-9-7-10-14-19)22(30(4,5)6)24(28)26-18-20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3,(H,25,27)(H,26,28)/t21-,22+.
What are the key properties of (2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide?
(2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide has a molecular weight of 440.74 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,N'-dibenzyl-2,3-bis(trimethylsilyl)butanediamide is sourced from PubChem (CID 10503283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).