(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal

C23H33NO2Si — CID 10872677

IUPAC(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H33NO2Si/c1-23(2,3)27(4,5)26-19-22(18-25)24(16-20-12-8-6-9-13-20)17-21-14-10-7-11-15-21/h6-15,18,22H,16-17,19H2,1-5H3/t22-/m1/s1
InChIKeyCDNBCNMVYKGSAF-JOCHJYFZSA-N
MW383.61 g/mol
LogP5.28
Rot. Bonds9

About (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal

(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal (PubChem CID 10872677) has the molecular formula C23H33NO2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal
PubChem CID10872677
Molecular FormulaC23H33NO2Si
Molecular Weight383.61 g/mol
Exact Mass383.23
IUPAC Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H33NO2Si/c1-23(2,3)27(4,5)26-19-22(18-25)24(16-20-12-8-6-9-13-20)17-21-14-10-7-11-15-21/h6-15,18,22H,16-17,19H2,1-5H3/t22-/m1/s1
InChIKeyCDNBCNMVYKGSAF-JOCHJYFZSA-N
XLogP5.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.61
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(dibenzylamino)-4-phenylmethoxyhexanal
CID 11180121
prop-2-enyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanoate
CID 11212824
(2S)-2-(dibenzylamino)-3-phenylmethoxypropanal
CID 11783340
(E,6S,7R)-8-[tert-butyl(dimethyl)silyl]oxy-7-(dibenzylamino)-6-hydroxyoct-2-en-4-one
CID 44632350
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
ethyl (E,4R)-4-[benzyl-(2,2,2-trichloroacetyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134847688
methyl (2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]butanoate
CID 164673972
(2S)-2-(dibenzylamino)-5-methylhexanal
CID 11461035
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol
CID 15420140
methyl (2R)-2-[benzyl-[(E)-4-chloro-3-methylbut-2-enyl]amino]-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 23583351
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal?
The IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal (CID 10872677) is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal.
What is the SMILES notation for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal?
The canonical SMILES for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal is CC(C)(C)[Si](C)(C)OC[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal?
The InChIKey is CDNBCNMVYKGSAF-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H33NO2Si/c1-23(2,3)27(4,5)26-19-22(18-25)24(16-20-12-8-6-9-13-20)17-21-14-10-7-11-15-21/h6-15,18,22H,16-17,19H2,1-5H3/t22-/m1/s1.
What are the key properties of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal?
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal has a molecular weight of 383.61 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal is sourced from PubChem (CID 10872677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).