[(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C37H53N3O7 — CID 134924728

IUPAC[(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCCC(=O)C(OC(=O)N1C(C)(C)COC1(C)C)[C@H](CCOC(=O)N1C(C)(C)COC1(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C37H53N3O7/c1-10-30(41)31(47-33(43)40-35(4,5)26-46-37(40,8)9)29(21-22-44-32(42)39-34(2,3)25-45-36(39,6)7)38(23-27-17-13-11-14-18-27)24-28-19-15-12-16-20-28/h11-20,29,31H,10,21-26H2,1-9H3/t29-,31?/m0/s1
InChIKeyZQOIPSDRUPGYFT-QHSFNAQHSA-N
MW651.85 g/mol
LogP6.76
Rot. Bonds12

About [(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134924728) has the molecular formula C37H53N3O7 and a molecular weight of 651.85 g/mol. Its IUPAC name is [(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134924728
Molecular FormulaC37H53N3O7
Molecular Weight651.85 g/mol
Exact Mass651.39
IUPAC Name[(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCCC(=O)C(OC(=O)N1C(C)(C)COC1(C)C)[C@H](CCOC(=O)N1C(C)(C)COC1(C)C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C37H53N3O7/c1-10-30(41)31(47-33(43)40-35(4,5)26-46-37(40,8)9)29(21-22-44-32(42)39-34(2,3)25-45-36(39,6)7)38(23-27-17-13-11-14-18-27)24-28-19-15-12-16-20-28/h11-20,29,31H,10,21-26H2,1-9H3/t29-,31?/m0/s1
InChIKeyZQOIPSDRUPGYFT-QHSFNAQHSA-N
XLogP6.76
TPSA97.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.85
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 134924728) is [(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CCC(=O)C(OC(=O)N1C(C)(C)COC1(C)C)[C@H](CCOC(=O)N1C(C)(C)COC1(C)C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZQOIPSDRUPGYFT-QHSFNAQHSA-N. The full InChI is InChI=1S/C37H53N3O7/c1-10-30(41)31(47-33(43)40-35(4,5)26-46-37(40,8)9)29(21-22-44-32(42)39-34(2,3)25-45-36(39,6)7)38(23-27-17-13-11-14-18-27)24-28-19-15-12-16-20-28/h11-20,29,31H,10,21-26H2,1-9H3/t29-,31?/m0/s1.
What are the key properties of [(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 651.85 g/mol, XLogP of 6.76, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134924728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).