tert-butyl N-ethyl-N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]carbamate

• ChemBase ID: 162576
• Molecular Formular: C14H27NO4
• Molecular Mass: 273.36848
• Monoisotopic Mass: 273.19400835
• SMILES: CC1(CCCN(CC)C(=O)OC(C)(C)C)OCCO1
• Canonical SMILES: CCN(C(=O)OC(C)(C)C)CCCC1(C)OCCO1
• InChI: InChI=1S/C14H27NO4/c1-6-15(12(16)19-13(2,3)4)9-7-8-14(5)17-10-11-18-14/h6-11H2,1-5H3
• InChIKey: PHDLJCSPXSOXAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-ethyl-N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]carbamate
• IUPAC Traditional name: tert-butyl N-ethyl-N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]carbamate
• Synonyms: Ethyl[3-(2-methyl-1,3-dioxolan-2-yl)propyl]carbamic Acid 1,1-Dimethylethyl Ester; N-(t-Boc)-N-ethyl-3-(2-methyl-[1,3]dioxolan-2-yl)propylamine

Database IDs

• CAS Number: 887353-49-3
• PubChem SID: 162256711
• PubChem CID: 29974637

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1042082
• LogD (pH = 7.4): 2.1042082
• Log P: 2.1042082
• Molar Refractivity: 73.9349 cm^3
• Polarizability: 29.09987 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; THF
• Apperance: Light Yellow Oil