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

C19H30N2O3 — CID 66705829

IUPACtert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCN(CC1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-7-20(15-11-9-8-10-12-15)13-16-14-23-19(5,6)21(16)17(22)24-18(2,3)4/h8-12,16H,7,13-14H2,1-6H3
InChIKeyVWNGIBKNQCVJJO-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.88
Rot. Bonds4

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

tert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 66705829) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID66705829
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCN(CC1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-7-20(15-11-9-8-10-12-15)13-16-14-23-19(5,6)21(16)17(22)24-18(2,3)4/h8-12,16H,7,13-14H2,1-6H3
InChIKeyVWNGIBKNQCVJJO-UHFFFAOYSA-N
XLogP3.88
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 66705829) is tert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCN(CC1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is VWNGIBKNQCVJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-7-20(15-11-9-8-10-12-15)13-16-14-23-19(5,6)21(16)17(22)24-18(2,3)4/h8-12,16H,7,13-14H2,1-6H3.
What are the key properties of tert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(N-ethylanilino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 66705829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).