[(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C34H49N3O6 — CID 11828103

IUPAC[(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OCC[C@@H](COC(=O)N1C(C)(C)COC1(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H49N3O6/c1-31(2)24-42-33(5,6)36(31)29(38)40-20-19-28(23-41-30(39)37-32(3,4)25-43-34(37,7)8)35(21-26-15-11-9-12-16-26)22-27-17-13-10-14-18-27/h9-18,28H,19-25H2,1-8H3/t28-/m0/s1
InChIKeyAYBNHPKDEQTOLA-NDEPHWFRSA-N
MW595.78 g/mol
LogP6.41
Rot. Bonds10

About [(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11828103) has the molecular formula C34H49N3O6 and a molecular weight of 595.78 g/mol. Its IUPAC name is [(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11828103
Molecular FormulaC34H49N3O6
Molecular Weight595.78 g/mol
Exact Mass595.36
IUPAC Name[(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OCC[C@@H](COC(=O)N1C(C)(C)COC1(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H49N3O6/c1-31(2)24-42-33(5,6)36(31)29(38)40-20-19-28(23-41-30(39)37-32(3,4)25-43-34(37,7)8)35(21-26-15-11-9-12-16-26)22-27-17-13-10-14-18-27/h9-18,28H,19-25H2,1-8H3/t28-/m0/s1
InChIKeyAYBNHPKDEQTOLA-NDEPHWFRSA-N
XLogP6.41
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.78
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

(R)-3-(4-((cyclohexyl(methyl)amino)methyl)benzyl)-5-methyloxazolidin-2-one
CID 44591685
Kfjhdoczcbpxqe-nvqxnpdnsa-
CID 21673038
Kfjhdoczcbpxqe-bkmjkugqsa-
CID 21673039
Mzquumuimbarde-lzmoypexsa-
CID 21673057
Jglqlanqixuqod-rdgatrhjsa-
CID 23243584
2-(Dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 11036712
3-(Dibenzylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 11058677
[(2R)-4-(dibenzylamino)-1-methoxy-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 11812680
[(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 14945794
Xonulhzrkphwez-uhfffaoysa-
CID 21673028
[4-(Dibenzylamino)-6-phenylhex-5-ynyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 10602155
[(1R,2R,3S)-3-(dibenzylamino)-2-(3-phenylpropa-1,2-dienyl)cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 10929689

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 11828103) is [(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1(C)COC(C)(C)N1C(=O)OCC[C@@H](COC(=O)N1C(C)(C)COC1(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is AYBNHPKDEQTOLA-NDEPHWFRSA-N. The full InChI is InChI=1S/C34H49N3O6/c1-31(2)24-42-33(5,6)36(31)29(38)40-20-19-28(23-41-30(39)37-32(3,4)25-43-34(37,7)8)35(21-26-15-11-9-12-16-26)22-27-17-13-10-14-18-27/h9-18,28H,19-25H2,1-8H3/t28-/m0/s1.
What are the key properties of [(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 595.78 g/mol, XLogP of 6.41, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(dibenzylamino)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxybutyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11828103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).