tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate

C20H32N2O3 — CID 67271784

IUPACtert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)N(CC1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H32N2O3/c1-15(2)21(16-11-9-8-10-12-16)13-17-14-24-20(6,7)22(17)18(23)25-19(3,4)5/h8-12,15,17H,13-14H2,1-7H3
InChIKeyRTYOCHQJLNMOEN-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.27
Rot. Bonds4

About tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate

tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 67271784) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate
PubChem CID67271784
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nametert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)N(CC1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H32N2O3/c1-15(2)21(16-11-9-8-10-12-16)13-17-14-24-20(6,7)22(17)18(23)25-19(3,4)5/h8-12,15,17H,13-14H2,1-7H3
InChIKeyRTYOCHQJLNMOEN-UHFFFAOYSA-N
XLogP4.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate (CID 67271784) is tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate is CC(C)N(CC1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is RTYOCHQJLNMOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-15(2)21(16-11-9-8-10-12-16)13-17-14-24-20(6,7)22(17)18(23)25-19(3,4)5/h8-12,15,17H,13-14H2,1-7H3.
What are the key properties of tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 348.49 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-[(N-propan-2-ylanilino)methyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 67271784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).