tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline

C19H32N2O3 — CID 143735127

IUPACtert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline
SMILESCC(C)(C)OC(=O)N1CCOC1(C)C.CCN(C)c1ccccc1
InChIInChI=1S/C10H19NO3.C9H13N/c1-9(2,3)14-8(12)11-6-7-13-10(11,4)5;1-3-10(2)9-7-5-4-6-8-9/h6-7H2,1-5H3;4-8H,3H2,1-2H3
InChIKeyFXTFXOVTDJTQCE-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.13
Rot. Bonds2

About tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline

tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline (PubChem CID 143735127) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline
PubChem CID143735127
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nametert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline
SMILESCC(C)(C)OC(=O)N1CCOC1(C)C.CCN(C)c1ccccc1
InChIInChI=1S/C10H19NO3.C9H13N/c1-9(2,3)14-8(12)11-6-7-13-10(11,4)5;1-3-10(2)9-7-5-4-6-8-9/h6-7H2,1-5H3;4-8H,3H2,1-2H3
InChIKeyFXTFXOVTDJTQCE-UHFFFAOYSA-N
XLogP4.13
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2,2-dimethyl-4-[(N-methylanilino)methyl]-1,3-oxazolidine-3-carboxylate
CID 67271529
tert-butyl 3,3-dibenzylmorpholine-4-carboxylate
CID 70061037
tert-butyl 8-[ethyl(methyl)amino]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 68578129
tert-butyl (3S)-3-(ethoxymethyl)-3-[(N-methylanilino)methyl]pyrrolidine-1-carboxylate
CID 135323316
tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate
CID 126847179
tert-butyl 6-(N-ethylanilino)-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 59261296
tert-butyl 2,5-bis(N-phenylanilino)pyrrole-1-carboxylate
CID 139840287
tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate
CID 102345334
4-O-benzyl 9-O-tert-butyl 10,10-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylate
CID 166543255
tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate
CID 52775607
4-benzyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 123621487
tert-butyl 2-methyl-2-phenylazepane-1-carboxylate
CID 135033621

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline?
The IUPAC name of tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline (CID 143735127) is tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline.
What is the SMILES notation for tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline?
The canonical SMILES for tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline is CC(C)(C)OC(=O)N1CCOC1(C)C.CCN(C)c1ccccc1.
What is the InChIKey of tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline?
The InChIKey is FXTFXOVTDJTQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C9H13N/c1-9(2,3)14-8(12)11-6-7-13-10(11,4)5;1-3-10(2)9-7-5-4-6-8-9/h6-7H2,1-5H3;4-8H,3H2,1-2H3.
What are the key properties of tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline?
tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline has a molecular weight of 336.48 g/mol, XLogP of 4.13, 2 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-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline is sourced from PubChem (CID 143735127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).