[(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C28H38N2O3 — CID 102092048

IUPAC[(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OC[C@@H](CC1CC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H38N2O3/c1-27(2)21-33-28(3,4)30(27)26(31)32-20-25(17-22-15-16-22)29(18-23-11-7-5-8-12-23)19-24-13-9-6-10-14-24/h5-14,22,25H,15-21H2,1-4H3/t25-/m1/s1
InChIKeyIIEMVWPOACXOIY-RUZDIDTESA-N
MW450.62 g/mol
LogP5.84
Rot. Bonds9

About [(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 102092048) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is [(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID102092048
Molecular FormulaC28H38N2O3
Molecular Weight450.62 g/mol
Exact Mass450.29
IUPAC Name[(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OC[C@@H](CC1CC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H38N2O3/c1-27(2)21-33-28(3,4)30(27)26(31)32-20-25(17-22-15-16-22)29(18-23-11-7-5-8-12-23)19-24-13-9-6-10-14-24/h5-14,22,25H,15-21H2,1-4H3/t25-/m1/s1
InChIKeyIIEMVWPOACXOIY-RUZDIDTESA-N
XLogP5.84
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 102092048) is [(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1(C)COC(C)(C)N1C(=O)OC[C@@H](CC1CC1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is IIEMVWPOACXOIY-RUZDIDTESA-N. The full InChI is InChI=1S/C28H38N2O3/c1-27(2)21-33-28(3,4)30(27)26(31)32-20-25(17-22-15-16-22)29(18-23-11-7-5-8-12-23)19-24-13-9-6-10-14-24/h5-14,22,25H,15-21H2,1-4H3/t25-/m1/s1.
What are the key properties of [(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 450.62 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 102092048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).