2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C24H32N2O3 — CID 11036712

IUPAC2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H32N2O3/c1-23(2)19-29-24(3,4)26(23)22(27)28-16-15-25(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14H,15-19H2,1-4H3
InChIKeyOHDKXQVKERTSLT-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.67
Rot. Bonds7

About 2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11036712) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11036712
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H32N2O3/c1-23(2)19-29-24(3,4)26(23)22(27)28-16-15-25(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14H,15-19H2,1-4H3
InChIKeyOHDKXQVKERTSLT-UHFFFAOYSA-N
XLogP4.67
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of 2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 11036712) is 2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for 2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for 2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1(C)COC(C)(C)N1C(=O)OCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is OHDKXQVKERTSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-23(2)19-29-24(3,4)26(23)22(27)28-16-15-25(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14H,15-19H2,1-4H3.
What are the key properties of 2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 396.53 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11036712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).