tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate

C15H32N2O4 — CID 122153904

IUPACtert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate
SMILESCCOCCN(C)CC(C)(O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O4/c1-8-20-10-9-16(6)11-15(5,19)12-17(7)13(18)21-14(2,3)4/h19H,8-12H2,1-7H3
InChIKeyVBHFPKDYXIRXFD-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.57
Rot. Bonds8

About tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate

tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate (PubChem CID 122153904) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate
PubChem CID122153904
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Nametert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate
SMILESCCOCCN(C)CC(C)(O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O4/c1-8-20-10-9-16(6)11-15(5,19)12-17(7)13(18)21-14(2,3)4/h19H,8-12H2,1-7H3
InChIKeyVBHFPKDYXIRXFD-UHFFFAOYSA-N
XLogP1.57
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate (CID 122153904) is tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate is CCOCCN(C)CC(C)(O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate?
The InChIKey is VBHFPKDYXIRXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4/c1-8-20-10-9-16(6)11-15(5,19)12-17(7)13(18)21-14(2,3)4/h19H,8-12H2,1-7H3.
What are the key properties of tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate?
tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate has a molecular weight of 304.43 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]-N-methylcarbamate is sourced from PubChem (CID 122153904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).